data_[Pr5Zn4Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6885]
_cell_length_b [3.6885]
_cell_length_c [18.4613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr5Zn4Ni]
_chemical_formula_sum '[Pr5 Zn4 Ni1]'
_cell_volume [251.1657]
_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  2  0.5000  0.5000  0.0909  1.0
  Pr  Pr1  2  0.5000  0.5000  0.2962  1.0
  Pr  Pr2  1  0.5000  0.5000  0.5000  1.0
  Zn  Zn3  2  0.0000  0.0000  0.1959  1.0
  Zn  Zn4  2  0.0000  0.0000  0.3979  1.0
  Ni  Ni5  1  0.0000  0.0000  0.0000  1.0
]