data_[Cs4Pr4Ag4Br20]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7327]
_cell_length_b [13.4366]
_cell_length_c [11.1196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsPrAgBr5]
_chemical_formula_sum '[Cs4 Pr4 Ag4 Br20]'
_cell_volume [1353.0438]
_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  0.3459  0.7500  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0000  0.3117  0.2500  1.0
  Br  Br3  8  0.1021  0.2006  0.0953  1.0
  Br  Br4  8  0.1932  0.4361  0.4327  1.0
  Br  Br5  4  0.0000  0.0725  0.7500  1.0
]