data_[Cd2Br2Cl4]
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 [P-1]
_cell_length_a [3.9533]
_cell_length_b [6.7308]
_cell_length_c [10.4234]
_cell_angle_alpha [88.8174]
_cell_angle_beta [86.7992]
_cell_angle_gamma [89.8134]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdBrCl2]
_chemical_formula_sum '[Cd2 Br2 Cl4]'
_cell_volume [276.8606]
_cell_formula_units_Z [2]
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  0.2506  0.7490  0.5014  1
  Br  Br1  2  0.4171  0.3494  0.0480  1
  Cl  Cl2  2  0.2292  0.4101  0.6369  1
  Cl  Cl3  2  0.2695  0.0855  0.3614  1
]