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 [6.6738]
_cell_length_b [7.4001]
_cell_length_c [12.1786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Cu2Ni]
_chemical_formula_sum '[Pr12 Cu4 Ni2]'
_cell_volume [519.1805]
_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  0.1034  0.1911  0.4324  1.0
  Pr  Pr1  4  0.2613  0.6750  0.4334  1.0
  Pr  Pr2  4  0.3903  0.0364  0.2429  1.0
  Cu  Cu3  4  0.1710  0.1082  0.7357  1.0
  Ni  Ni4  2  0.5000  0.0000  0.5000  1.0
]