data_[Pr24Cu8]
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 [I-4]
_cell_length_a [12.2581]
_cell_length_b [12.2581]
_cell_length_c [6.3254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pr3Cu]
_chemical_formula_sum '[Pr24 Cu8]'
_cell_volume [950.4586]
_cell_formula_units_Z [8]
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  0.0347  0.6333  0.0177  1.0
  Pr  Pr1  8  0.0780  0.1197  0.2522  1.0
  Pr  Pr2  8  0.1737  0.2237  0.7468  1.0
  Cu  Cu3  8  0.0490  0.7023  0.5157  1.0
]