data_[Pr12Cu4Ni2]
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 [6.6937]
_cell_length_b [7.4164]
_cell_length_c [12.1971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Cu2Ni]
_chemical_formula_sum '[Pr12 Cu4 Ni2]'
_cell_volume [522.8510]
_cell_formula_units_Z [2]
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  0.1033  0.6911  0.9322  1
  Pr  Pr1  4  0.2613  0.1753  0.9333  1
  Pr  Pr2  4  0.3900  0.5365  0.7431  1
  Cu  Cu3  4  0.1712  0.6082  0.2358  1
  Ni  Ni4  2  0.5000  0.0000  0.5000  1
]