data_[In4Sb8S16Br4]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6593]
_cell_length_b [3.9128]
_cell_length_c [12.1390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InSb2S4Br]
_chemical_formula_sum '[In4 Sb8 S16 Br4]'
_cell_volume [846.7637]
_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  4  0.1638  0.5000  0.4336  1.0
  Sb  Sb1  4  0.0482  0.0000  0.7845  1.0
  Sb  Sb2  4  0.2066  0.5000  0.0941  1.0
  S  S3  4  0.0344  0.5000  0.2143  1.0
  S  S4  4  0.1039  0.0000  0.0227  1.0
  S  S5  4  0.1807  0.5000  0.8699  1.0
  S  S6  4  0.2117  0.0000  0.3505  1.0
  Br  Br7  4  0.1024  0.0000  0.5272  1.0
]