data_[Cd8Br4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1113]
_cell_length_b [3.9374]
_cell_length_c [13.4082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2BrCl3]
_chemical_formula_sum '[Cd8 Br4 Cl12]'
_cell_volume [707.1352]
_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  4  0.1253  0.0000  0.8752  1.0
  Cd  Cd1  4  0.1255  0.5000  0.3766  1.0
  Br  Br2  4  0.0662  0.5000  0.6918  1.0
  Cl  Cl3  4  0.0630  0.0000  0.2056  1.0
  Cl  Cl4  4  0.1841  0.5000  0.0427  1.0
  Cl  Cl5  4  0.1893  0.0000  0.5488  1.0
]