data_[Cd3P1Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.2274]
_cell_length_b [4.4579]
_cell_length_c [7.5254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd3PBr3]
_chemical_formula_sum '[Cd3 P1 Br3]'
_cell_volume [242.3967]
_cell_formula_units_Z [1]
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  1  0.0276  0.0000  0.6861  1.0
  Cd  Cd1  1  0.0847  0.5000  0.1139  1.0
  Cd  Cd2  1  0.5962  0.5000  0.8629  1.0
  P  P3  1  0.9370  0.5000  0.8103  1.0
  Br  Br4  1  0.4286  0.0000  0.6949  1.0
  Br  Br5  1  0.4478  0.5000  0.1856  1.0
  Br  Br6  1  0.9703  0.0000  0.3131  1.0
]