data_[Cs4Pr4Cu8Cl24]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2896]
_cell_length_b [13.9519]
_cell_length_c [8.8629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsPr(CuCl3)2]
_chemical_formula_sum '[Cs4 Pr4 Cu8 Cl24]'
_cell_volume [1211.4578]
_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  0.1425  0.7500  1.0
  Pr  Pr1  4  0.0000  0.4434  0.2500  1.0
  Cu  Cu2  8  0.2244  0.1410  0.2223  1.0
  Cl  Cl3  8  0.0361  0.3885  0.5722  1.0
  Cl  Cl4  8  0.1835  0.2846  0.2789  1.0
  Cl  Cl5  8  0.2164  0.0080  0.0973  1.0
]