data_[Pr8Cu4Ni8]
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/c]
_cell_length_a [9.2276]
_cell_length_b [5.4932]
_cell_length_c [7.9629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2CuNi2]
_chemical_formula_sum '[Pr8 Cu4 Ni8]'
_cell_volume [391.5106]
_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  8  0.1504  0.3636  0.6512  1.0
  Cu  Cu1  4  0.0000  0.1416  0.2500  1.0
  Ni  Ni2  8  0.1315  0.1311  0.0059  1.0
]