data_[Cs1Pr1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9569]
_cell_length_b [7.4506]
_cell_length_c [9.9475]
_cell_angle_alpha [83.6963]
_cell_angle_beta [85.5528]
_cell_angle_gamma [86.7642]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPr(SnBr4)2]
_chemical_formula_sum '[Cs1 Pr1 Sn2 Br8]'
_cell_volume [510.3542]
_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
  Sn  Sn2  2  0.4792  0.4821  0.7495  1.0
  Br  Br3  2  0.2349  0.3272  0.9678  1.0
  Br  Br4  2  0.2479  0.8365  0.7914  1.0
  Br  Br5  2  0.2591  0.8513  0.2080  1.0
  Br  Br6  2  0.2645  0.3909  0.5551  1.0
]