data_[Cs4Pr4Ag4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2790]
_cell_length_b [12.9457]
_cell_length_c [10.5682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2463]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsPrAgCl5]
_chemical_formula_sum '[Cs4 Pr4 Ag4 Cl20]'
_cell_volume [1183.1967]
_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  0.3421  0.2500  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0000  0.3136  0.7500  1.0
  Cl  Cl3  8  0.0979  0.1975  0.5944  1.0
  Cl  Cl4  8  0.1946  0.4391  0.9290  1.0
  Cl  Cl5  4  0.0000  0.0701  0.2500  1.0
]