data_[Cd4Sb4S8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [13.2009]
_cell_length_b [3.9739]
_cell_length_c [9.8449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdSbS2Br]
_chemical_formula_sum '[Cd4 Sb4 S8 Br4]'
_cell_volume [516.2503]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  4  0.2139  0.5000  0.3153  1.0
  S  S3  4  0.0859  0.0000  0.2612  1.0
  S  S4  4  0.1464  0.5000  0.5505  1.0
  Br  Br5  4  0.1345  0.5000  0.9244  1.0
]