data_[Pr20Cu8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.4946]
_cell_length_b [6.8437]
_cell_length_c [7.1435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Cu2]
_chemical_formula_sum '[Pr20 Cu8]'
_cell_volume [850.7608]
_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  8  0.0940  0.1073  0.9402  1.0
  Pr  Pr1  8  0.2189  0.4295  0.2956  1.0
  Pr  Pr2  4  0.0000  0.4344  0.2500  1.0
  Cu  Cu3  8  0.1099  0.3057  0.5660  1.0
]