data_[Pr6Cu8Ni4]
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 [10.6830]
_cell_length_b [4.1699]
_cell_length_c [8.3110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(Cu2Ni)2]
_chemical_formula_sum '[Pr6 Cu8 Ni4]'
_cell_volume [354.5157]
_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  0.1719  0.5000  0.6606  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0499  0.0000  0.3836  1.0
  Cu  Cu3  4  0.2211  0.5000  0.0586  1.0
  Ni  Ni4  4  0.1091  0.5000  0.2753  1.0
]