data_[Pr2Cu3Ni1]
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 [Pmm2]
_cell_length_a [3.8409]
_cell_length_b [4.2112]
_cell_length_c [7.3021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr2Cu3Ni]
_chemical_formula_sum '[Pr2 Cu3 Ni1]'
_cell_volume [118.1111]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4921  1.0
  Pr  Pr1  1  0.0000  0.5000  0.0096  1.0
  Cu  Cu2  1  0.5000  0.0000  0.1678  1.0
  Cu  Cu3  1  0.5000  0.0000  0.8342  1.0
  Cu  Cu4  1  0.5000  0.5000  0.6638  1.0
  Ni  Ni5  1  0.5000  0.5000  0.3326  1.0
]