The material described by CuIn2 crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded in a 3-coordinate geometry to three equivalent In(1) and six equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a trigonal planar geometry to three equivalent Cu(1) and six equivalent In(2) atoms. In the second In site, In(2) is bonded in a 14-coordinate geometry to six equivalent Cu(1), two equivalent In(2), and six equivalent In(1) atoms. is represented by the CIF file [CIF]
data_In2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.691
_cell_length_b   4.691
_cell_length_c   6.902
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   131.552
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  In  In1  1  0.667  0.333  0.250  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.333  0.667  0.250  1.0
  Cu  Cu5  1  0.667  0.333  0.750  1.0
[/CIF]
.
The material described by CuIn2 crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded in a 3-coordinate geometry to three equivalent In(1) and six equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a trigonal planar geometry to three equivalent Cu(1) and six equivalent In(2) atoms. In the second In site, In(2) is bonded in a 14-coordinate geometry to six equivalent Cu(1), two equivalent In(2), and six equivalent In(1) atoms. is represented by the CIF file [CIF]
data_In2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.691
_cell_length_b   4.691
_cell_length_c   6.902
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   131.552
_cell_formula_units_Z   2
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  0.333  0.667  0.750  1.0
  In  In1  1  0.667  0.333  0.250  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.333  0.667  0.250  1.0
  Cu  Cu5  1  0.667  0.333  0.750  1.0
[/CIF]
.