data_[Pr4Cu4Cl20]
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 [7.3247]
_cell_length_b [13.3731]
_cell_length_c [8.4581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrCuCl5]
_chemical_formula_sum '[Pr4 Cu4 Cl20]'
_cell_volume [810.1553]
_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  0.4585  0.7500  1.0
  Cu  Cu1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1155  0.3891  0.4711  1.0
  Cl  Cl3  8  0.1678  0.1347  0.1130  1.0
  Cl  Cl4  4  0.0000  0.0728  0.7500  1.0
]