data_[Pr4Cu8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.5250]
_cell_length_b [12.1885]
_cell_length_c [6.6191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr(CuCl3)2]
_chemical_formula_sum '[Pr4 Cu8 Cl24]'
_cell_volume [1063.1833]
_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
[
  Pr  Pr0  4  0.0000  0.1116  0.7500  1.0
  Cu  Cu1  8  0.1400  0.4279  0.7363  1.0
  Cl  Cl2  8  0.1161  0.0629  0.1367  1.0
  Cl  Cl3  8  0.1314  0.2555  0.6252  1.0
  Cl  Cl4  8  0.1332  0.4160  0.0711  1.0
]