data_InCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuSb2
_chemical_formula_sum   'In1 Cu1 Sb2'
_cell_volume   97.01
_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  In1  1  0.0  0.0  0.33  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.13  0.0  0.95  1.0
  Sb  Sb3  1  0.13  0.0  0.7  1.0

data_InCuSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuSb2
_chemical_formula_sum   'In1 Cu1 Sb2'
_cell_volume   97.01
_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  0.0  0.0  0.33  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.13  0.0  0.7  1.0
  Sb  Sb3  1  0.13  0.0  0.95  1.0

In Cu Sb Sb
CuInSb2 crystallizes in the triclinic P1 space group. Cu(1) is bonded in a single-bond geometry to one In(1) and one Sb(1) atom. The Cu(1)-In(1) bond length is 2.81 Å. The Cu(1)-Sb(1) bond length is 0.60 Å. In(1) is bonded to one Cu(1), four equivalent In(1), and one Sb(2) atom to form a mixture of distorted corner and edge-sharing InIn4CuSb octahedra. The corner-sharing octahedra are not tilted. All In(1)-In(1) bond lengths are 3.38 Å. The In(1)-Sb(2) bond length is 3.24 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Cu(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 2.23 Å. In the second Sb site, Sb(2) is bonded in a distorted linear geometry to one In(1) and one Sb(1) atom.