data_[In4Sb8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.6381]
_cell_length_b [4.2709]
_cell_length_c [7.9417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InSb2Se]
_chemical_formula_sum '[In4 Sb8 Se4]'
_cell_volume [476.0756]
_cell_formula_units_Z [4]
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  2  0.1099  0.5000  0.9648  1.0
  In  In1  2  0.3632  0.5000  0.7108  1.0
  Sb  Sb2  2  0.1019  0.0000  0.4680  1.0
  Sb  Sb3  2  0.2118  0.5000  0.3706  1.0
  Sb  Sb4  2  0.3508  0.0000  0.2083  1.0
  Sb  Sb5  2  0.4654  0.5000  0.1127  1.0
  Se  Se6  2  0.2227  0.0000  0.8889  1.0
  Se  Se7  2  0.4721  0.0000  0.6410  1.0
]