The crystal structure described by Cu7In8Se16 crystallizes in the triclinic P1 space group. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(11), one Se(3), and one Se(5) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(2)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(15), one Se(4), one Se(6), and one Se(9) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(4)Se4 tetrahedra. In the third Cu site, Cu(3) is bonded to one Se(16), one Se(2), one Se(3), and one Se(4) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(3)Se4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one Se(10), one Se(13), one Se(16), and one Se(8) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(6)Se4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one Se(5), one Se(6), one Se(7), and one Se(8) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra, and corners with two equivalent In(5)Se4 tetrahedra. In the sixth Cu site, Cu(6) is bonded to one Se(10), one Se(11), one Se(12), and one Se(9) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(7)Se4 tetrahedra. In the seventh Cu site, Cu(7) is bonded to one Se(1), one Se(13), one Se(14), and one Se(15) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra, and corners with two equivalent In(8)Se4 tetrahedra. There are eight inequivalent In sites. In the first In site, In(1) is bonded to one Se(12), one Se(14), one Se(16), and one Se(5) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra, and  a cornercorner with one In(8)Se4 tetrahedra. In the second In site, In(2) is bonded to one Se(1), one Se(3), one Se(7), and one Se(9) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent Cu(1)Se4 tetrahedra. In the third In site, In(3) is bonded to one Se(1), one Se(16), one Se(2), and one Se(6) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra, and corners with two equivalent Cu(3)Se4 tetrahedra. In the fourth In site, In(4) is bonded to one Se(11), one Se(13), one Se(4), and one Se(6) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent Cu(2)Se4 tetrahedra. In the fifth In site, In(5) is bonded to one Se(10), one Se(4), one Se(5), and one Se(7) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra, and corners with two equivalent Cu(5)Se4 tetrahedra. In the sixth In site, In(6) is bonded to one Se(10), one Se(15), one Se(2), and one Se(8) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent Cu(4)Se4 tetrahedra. In the seventh In site, In(7) is bonded to one Se(11), one Se(14), one Se(8), and one Se(9) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra, and corners with two equivalent Cu(6)Se4 tetrahedra. In the eighth In site, In(8) is bonded to one Se(12), one Se(13), one Se(15), and one Se(3) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra, and corners with two equivalent Cu(7)Se4 tetrahedra. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(7), one In(2), and one In(3) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Cu(3), one In(3), and one In(6) atom. In the third Se site, Se(3) is bonded to one Cu(1), one Cu(3), one In(2), and one In(8) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the fourth Se site, Se(4) is bonded to one Cu(2), one Cu(3), one In(4), and one In(5) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the fifth Se site, Se(5) is bonded to one Cu(1), one Cu(5), one In(1), and one In(5) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the sixth Se site, Se(6) is bonded to one Cu(2), one Cu(5), one In(3), and one In(4) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the seventh Se site, Se(7) is bonded in a trigonal non-coplanar geometry to one Cu(5), one In(2), and one In(5) atom. In the eighth Se site, Se(8) is bonded to one Cu(4), one Cu(5), one In(6), and one In(7) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the ninth Se site, Se(9) is bonded to one Cu(2), one Cu(6), one In(2), and one In(7) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the tenth Se site, Se(10) is bonded to one Cu(4), one Cu(6), one In(5), and one In(6) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the eleventh Se site, Se(11) is bonded to one Cu(1), one Cu(6), one In(4), and one In(7) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the twelfth Se site, Se(12) is bonded in a distorted trigonal non-coplanar geometry to one Cu(6), one In(1), and one In(8) atom. In the thirteenth Se site, Se(13) is bonded to one Cu(4), one Cu(7), one In(4), and one In(8) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the fourteenth Se site, Se(14) is bonded in a trigonal non-coplanar geometry to one Cu(7), one In(1), and one In(7) atom. In the fifteenth Se site, Se(15) is bonded to one Cu(2), one Cu(7), one In(6), and one In(8) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the sixteenth Se site, Se(16) is bonded to one Cu(3), one Cu(4), one In(1), and one In(3) atom to form corner-sharing SeIn2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_In8Cu7Se16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.607
_cell_length_b   10.099
_cell_length_c   10.802
_cell_angle_alpha   116.119
_cell_angle_beta   111.630
_cell_angle_gamma   93.597
_symmetry_Int_Tables_number   1
_cell_volume   754.618
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In  In0  1  0.491  0.003  0.001  1.0
  In  In1  1  0.748  0.748  0.507  1.0
  In  In2  1  0.872  0.875  0.250  1.0
  In  In3  1  0.990  0.497  0.001  1.0
  In  In4  1  0.120  0.625  0.749  1.0
  In  In5  1  0.241  0.243  0.499  1.0
  In  In6  1  0.369  0.368  0.248  1.0
  In  In7  1  0.619  0.124  0.751  1.0
  Cu  Cu8  1  0.245  0.752  0.502  1.0
  Cu  Cu9  1  0.497  0.498  0.003  1.0
  Cu  Cu10  1  0.365  0.871  0.248  1.0
  Cu  Cu11  1  0.745  0.252  0.500  1.0
  Cu  Cu12  1  0.620  0.625  0.749  1.0
  Cu  Cu13  1  0.870  0.370  0.249  1.0
  Cu  Cu14  1  0.124  0.126  0.752  1.0
  Se  Se15  1  0.028  0.886  0.515  1.0
  Se  Se16  1  0.136  0.999  0.233  1.0
  Se  Se17  1  0.485  0.867  0.485  1.0
  Se  Se18  1  0.275  0.629  0.013  1.0
  Se  Se19  1  0.391  0.746  0.736  1.0
  Se  Se20  1  0.731  0.619  0.984  1.0
  Se  Se21  1  0.882  0.765  0.773  1.0
  Se  Se22  1  0.526  0.383  0.516  1.0
  Se  Se23  1  0.641  0.498  0.240  1.0
  Se  Se24  1  0.985  0.367  0.486  1.0
  Se  Se25  1  0.126  0.508  0.268  1.0
  Se  Se26  1  0.775  0.131  0.012  1.0
  Se  Se27  1  0.888  0.246  0.735  1.0
  Se  Se28  1  0.224  0.109  0.986  1.0
  Se  Se29  1  0.377  0.261  0.768  1.0
  Se  Se30  1  0.624  0.007  0.267  1.0
[/CIF]
.
The crystal structure described by Cu7In8Se16 crystallizes in the triclinic P1 space group. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(11), one Se(3), and one Se(5) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(2)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to one Se(15), one Se(4), one Se(6), and one Se(9) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(4)Se4 tetrahedra. In the third Cu site, Cu(3) is bonded to one Se(16), one Se(2), one Se(3), and one Se(4) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(3)Se4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to one Se(10), one Se(13), one Se(16), and one Se(8) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(6)Se4 tetrahedra. In the fifth Cu site, Cu(5) is bonded to one Se(5), one Se(6), one Se(7), and one Se(8) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra, and corners with two equivalent In(5)Se4 tetrahedra. In the sixth Cu site, Cu(6) is bonded to one Se(10), one Se(11), one Se(12), and one Se(9) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent In(7)Se4 tetrahedra. In the seventh Cu site, Cu(7) is bonded to one Se(1), one Se(13), one Se(14), and one Se(15) atom to form CuSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra, and corners with two equivalent In(8)Se4 tetrahedra. There are eight inequivalent In sites. In the first In site, In(1) is bonded to one Se(12), one Se(14), one Se(16), and one Se(5) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra, and  a cornercorner with one In(8)Se4 tetrahedra. In the second In site, In(2) is bonded to one Se(1), one Se(3), one Se(7), and one Se(9) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent Cu(1)Se4 tetrahedra. In the third In site, In(3) is bonded to one Se(1), one Se(16), one Se(2), and one Se(6) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra, and corners with two equivalent Cu(3)Se4 tetrahedra. In the fourth In site, In(4) is bonded to one Se(11), one Se(13), one Se(4), and one Se(6) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent Cu(2)Se4 tetrahedra. In the fifth In site, In(5) is bonded to one Se(10), one Se(4), one Se(5), and one Se(7) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra, and corners with two equivalent Cu(5)Se4 tetrahedra. In the sixth In site, In(6) is bonded to one Se(10), one Se(15), one Se(2), and one Se(8) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(3)Se4 tetrahedra,  a cornercorner with one In(5)Se4 tetrahedra,  a cornercorner with one In(7)Se4 tetrahedra,  a cornercorner with one In(8)Se4 tetrahedra, and corners with two equivalent Cu(4)Se4 tetrahedra. In the seventh In site, In(7) is bonded to one Se(11), one Se(14), one Se(8), and one Se(9) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(5)Se4 tetrahedra,  a cornercorner with one Cu(7)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra, and corners with two equivalent Cu(6)Se4 tetrahedra. In the eighth In site, In(8) is bonded to one Se(12), one Se(13), one Se(15), and one Se(3) atom to form InSe4 tetrahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Cu(4)Se4 tetrahedra,  a cornercorner with one Cu(6)Se4 tetrahedra,  a cornercorner with one In(1)Se4 tetrahedra,  a cornercorner with one In(2)Se4 tetrahedra,  a cornercorner with one In(4)Se4 tetrahedra,  a cornercorner with one In(6)Se4 tetrahedra, and corners with two equivalent Cu(7)Se4 tetrahedra. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cu(1), one Cu(7), one In(2), and one In(3) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Cu(3), one In(3), and one In(6) atom. In the third Se site, Se(3) is bonded to one Cu(1), one Cu(3), one In(2), and one In(8) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the fourth Se site, Se(4) is bonded to one Cu(2), one Cu(3), one In(4), and one In(5) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the fifth Se site, Se(5) is bonded to one Cu(1), one Cu(5), one In(1), and one In(5) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the sixth Se site, Se(6) is bonded to one Cu(2), one Cu(5), one In(3), and one In(4) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the seventh Se site, Se(7) is bonded in a trigonal non-coplanar geometry to one Cu(5), one In(2), and one In(5) atom. In the eighth Se site, Se(8) is bonded to one Cu(4), one Cu(5), one In(6), and one In(7) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the ninth Se site, Se(9) is bonded to one Cu(2), one Cu(6), one In(2), and one In(7) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the tenth Se site, Se(10) is bonded to one Cu(4), one Cu(6), one In(5), and one In(6) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the eleventh Se site, Se(11) is bonded to one Cu(1), one Cu(6), one In(4), and one In(7) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the twelfth Se site, Se(12) is bonded in a distorted trigonal non-coplanar geometry to one Cu(6), one In(1), and one In(8) atom. In the thirteenth Se site, Se(13) is bonded to one Cu(4), one Cu(7), one In(4), and one In(8) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the fourteenth Se site, Se(14) is bonded in a trigonal non-coplanar geometry to one Cu(7), one In(1), and one In(7) atom. In the fifteenth Se site, Se(15) is bonded to one Cu(2), one Cu(7), one In(6), and one In(8) atom to form corner-sharing SeIn2Cu2 tetrahedra. In the sixteenth Se site, Se(16) is bonded to one Cu(3), one Cu(4), one In(1), and one In(3) atom to form corner-sharing SeIn2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_In8Cu7Se16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.607
_cell_length_b   10.099
_cell_length_c   10.802
_cell_angle_alpha   116.119
_cell_angle_beta   111.630
_cell_angle_gamma   93.597
_symmetry_Int_Tables_number   1
_cell_volume   754.618
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In  In0  1  0.491  0.003  0.001  1.0
  In  In1  1  0.748  0.748  0.507  1.0
  In  In2  1  0.872  0.875  0.250  1.0
  In  In3  1  0.990  0.497  0.001  1.0
  In  In4  1  0.120  0.625  0.749  1.0
  In  In5  1  0.241  0.243  0.499  1.0
  In  In6  1  0.369  0.368  0.248  1.0
  In  In7  1  0.619  0.124  0.751  1.0
  Cu  Cu8  1  0.245  0.752  0.502  1.0
  Cu  Cu9  1  0.497  0.498  0.003  1.0
  Cu  Cu10  1  0.365  0.871  0.248  1.0
  Cu  Cu11  1  0.745  0.252  0.500  1.0
  Cu  Cu12  1  0.620  0.625  0.749  1.0
  Cu  Cu13  1  0.870  0.370  0.249  1.0
  Cu  Cu14  1  0.124  0.126  0.752  1.0
  Se  Se15  1  0.028  0.886  0.515  1.0
  Se  Se16  1  0.136  0.999  0.233  1.0
  Se  Se17  1  0.485  0.867  0.485  1.0
  Se  Se18  1  0.275  0.629  0.013  1.0
  Se  Se19  1  0.391  0.746  0.736  1.0
  Se  Se20  1  0.731  0.619  0.984  1.0
  Se  Se21  1  0.882  0.765  0.773  1.0
  Se  Se22  1  0.526  0.383  0.516  1.0
  Se  Se23  1  0.641  0.498  0.240  1.0
  Se  Se24  1  0.985  0.367  0.486  1.0
  Se  Se25  1  0.126  0.508  0.268  1.0
  Se  Se26  1  0.775  0.131  0.012  1.0
  Se  Se27  1  0.888  0.246  0.735  1.0
  Se  Se28  1  0.224  0.109  0.986  1.0
  Se  Se29  1  0.377  0.261  0.768  1.0
  Se  Se30  1  0.624  0.007  0.267  1.0
[/CIF]
.