The material described by In3Al(CuSe2)4 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(4), one Se(5), and one Se(7) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(6) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one Se(1), one Se(4), one Se(5), and one Se(8) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), one Se(6), and one Se(7) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one Se(2), one Se(4), and one Se(7) atom. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Se(4), one Se(5), and one Se(7) atom. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Se(3), one Se(6), and one Se(8) atom. Al(1) is bonded in a 3-coordinate geometry to one Se(1), one Se(3), and one Se(8) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(3), and one Al(1) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(4), and one In(1) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(4), one In(3), and one Al(1) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(3), one In(1), and one In(2) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one In(2) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(4), and one In(3) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(4), one In(1), and one In(2) atom. In the eighth Se site, Se(8) is bonded in a 3-coordinate geometry to one Cu(3), one In(3), and one Al(1) atom. is represented by the CIF file [CIF]
data_AlIn3(CuSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   7.116
_cell_length_c   10.888
_cell_angle_alpha   77.564
_cell_angle_beta   74.470
_cell_angle_gamma   65.824
_symmetry_Int_Tables_number   1
_cell_volume   394.131
_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
  Al  Al0  1  0.375  0.375  0.125  1.0
  In  In1  1  0.875  0.875  0.625  1.0
  In  In2  1  0.250  0.251  0.753  1.0
  In  In3  1  0.750  0.749  0.247  1.0
  Cu  Cu4  1  0.626  0.623  0.877  1.0
  Cu  Cu5  1  0.124  0.127  0.373  1.0
  Cu  Cu6  1  0.001  0.001  0.002  1.0
  Cu  Cu7  1  0.498  0.499  0.498  1.0
  Se  Se8  1  0.416  0.681  0.052  1.0
  Se  Se9  1  0.923  0.205  0.546  1.0
  Se  Se10  1  0.215  0.419  0.314  1.0
  Se  Se11  1  0.705  0.921  0.830  1.0
  Se  Se12  1  0.055  0.316  0.952  1.0
  Se  Se13  1  0.529  0.812  0.436  1.0
  Se  Se14  1  0.347  0.562  0.687  1.0
  Se  Se15  1  0.811  0.084  0.183  1.0
[/CIF]
.
The material described by In3Al(CuSe2)4 crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Se(1), one Se(4), one Se(5), and one Se(7) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), and one Se(6) atom. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one Se(1), one Se(4), one Se(5), and one Se(8) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one Se(2), one Se(3), one Se(6), and one Se(7) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to one Se(2), one Se(4), and one Se(7) atom. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Se(4), one Se(5), and one Se(7) atom. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Se(3), one Se(6), and one Se(8) atom. Al(1) is bonded in a 3-coordinate geometry to one Se(1), one Se(3), and one Se(8) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(3), and one Al(1) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(4), and one In(1) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one Cu(2), one Cu(4), one In(3), and one Al(1) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(3), one In(1), and one In(2) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one In(2) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(4), and one In(3) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(4), one In(1), and one In(2) atom. In the eighth Se site, Se(8) is bonded in a 3-coordinate geometry to one Cu(3), one In(3), and one Al(1) atom. is represented by the CIF file [CIF]
data_AlIn3(CuSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.830
_cell_length_b   7.116
_cell_length_c   10.888
_cell_angle_alpha   77.564
_cell_angle_beta   74.470
_cell_angle_gamma   65.824
_symmetry_Int_Tables_number   1
_cell_volume   394.131
_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
  Al  Al0  1  0.375  0.375  0.125  1.0
  In  In1  1  0.875  0.875  0.625  1.0
  In  In2  1  0.250  0.251  0.753  1.0
  In  In3  1  0.750  0.749  0.247  1.0
  Cu  Cu4  1  0.626  0.623  0.877  1.0
  Cu  Cu5  1  0.124  0.127  0.373  1.0
  Cu  Cu6  1  0.001  0.001  0.002  1.0
  Cu  Cu7  1  0.498  0.499  0.498  1.0
  Se  Se8  1  0.416  0.681  0.052  1.0
  Se  Se9  1  0.923  0.205  0.546  1.0
  Se  Se10  1  0.215  0.419  0.314  1.0
  Se  Se11  1  0.705  0.921  0.830  1.0
  Se  Se12  1  0.055  0.316  0.952  1.0
  Se  Se13  1  0.529  0.812  0.436  1.0
  Se  Se14  1  0.347  0.562  0.687  1.0
  Se  Se15  1  0.811  0.084  0.183  1.0
[/CIF]
.