data_[Cs4Pr4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.0652]
_cell_length_b [7.2837]
_cell_length_c [8.1583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsPrBr4]
_chemical_formula_sum '[Cs4 Pr4 Br16]'
_cell_volume [1027.1756]
_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
[
  Cs  Cs0  4  0.0000  0.2007  0.7500  1.0
  Pr  Pr1  4  0.2500  0.2500  0.5000  1.0
  Br  Br2  8  0.0951  0.3760  0.4442  1.0
  Br  Br3  8  0.1953  0.0783  0.1524  1.0
]