data_InSb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSb2Se
_chemical_formula_sum   'In1 Sb2 Se1'
_cell_volume   102.81
_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  0.65  0.65  0.0  1.0
  Sb  Sb1  1  0.65  0.0  0.83  1.0
  Sb  Sb2  1  0.0  0.65  0.83  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_InSb2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSb2Se
_chemical_formula_sum   'In2 Sb4 Se2'
_cell_volume   205.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.15  0.5  0.0  1.0
  Sb  Sb1  4  0.33  0.33  0.83  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

In Sb Sb Se
InSb2Se crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two InSb2Se clusters. In(1) is bonded in an L-shaped geometry to two equivalent Sb(1) atoms. Both In(1)-Sb(1) bond lengths are 1.96 Å. Sb(1) is bonded in an L-shaped geometry to one In(1) and one Se(1) atom. The Sb(1)-Se(1) bond length is 1.96 Å. Se(1) is bonded in an L-shaped geometry to two equivalent Sb(1) atoms.