data_[Pr8Cu8Ni4]
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 [C2/m]
_cell_length_a [10.6616]
_cell_length_b [4.0291]
_cell_length_c [11.3081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Cu2Ni]
_chemical_formula_sum '[Pr8 Cu8 Ni4]'
_cell_volume [429.5282]
_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  0.0578  0.0000  0.3592  1.0
  Pr  Pr1  4  0.2046  0.0000  0.1166  1.0
  Cu  Cu2  4  0.0066  0.5000  0.8860  1.0
  Cu  Cu3  4  0.1274  0.5000  0.5820  1.0
  Ni  Ni4  4  0.2353  0.5000  0.3160  1.0
]