data_[Cs1Pr1Cd2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1194]
_cell_length_b [7.2662]
_cell_length_c [10.1910]
_cell_angle_alpha [73.2862]
_cell_angle_beta [76.1813]
_cell_angle_gamma [74.8500]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPr(CdBr4)2]
_chemical_formula_sum '[Cs1 Pr1 Cd2 Br8]'
_cell_volume [479.6746]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.4587  0.4448  0.7150  1.0
  Br  Br3  2  0.1621  0.7006  0.2356  1.0
  Br  Br4  2  0.2577  0.7901  0.7950  1.0
  Br  Br5  2  0.2882  0.2389  0.9664  1.0
  Br  Br6  2  0.3931  0.2822  0.5304  1.0
]