data_[Cs4Pr4Cu4Cl20]
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 [9.2131]
_cell_length_b [12.3030]
_cell_length_c [10.4054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsPrCuCl5]
_chemical_formula_sum '[Cs4 Pr4 Cu4 Cl20]'
_cell_volume [1086.5865]
_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  0.3486  0.2500  1.0
  Pr  Pr1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3105  0.7500  1.0
  Cl  Cl3  8  0.0968  0.2046  0.6125  1.0
  Cl  Cl4  8  0.1939  0.4233  0.9131  1.0
  Cl  Cl5  4  0.0000  0.0747  0.2500  1.0
]