data_[Pr12Cu4Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.9968]
_cell_length_b [7.3224]
_cell_length_c [8.2930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr3CuNi]
_chemical_formula_sum '[Pr12 Cu4 Ni4]'
_cell_volume [522.6763]
_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  0.1493  0.1808  0.0020  1.0
  Pr  Pr1  4  0.1918  0.6554  0.8792  1.0
  Pr  Pr2  4  0.4315  0.0001  0.7830  1.0
  Cu  Cu3  4  0.4437  0.1614  0.4689  1.0
  Ni  Ni4  4  0.0831  0.5346  0.1603  1.0
]