data_[Pr12Zn4Ni2]
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 [P2_1/c]
_cell_length_a [6.2777]
_cell_length_b [8.1898]
_cell_length_c [12.0160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Zn2Ni]
_chemical_formula_sum '[Pr12 Zn4 Ni2]'
_cell_volume [531.9381]
_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  0.0898  0.6918  0.9504  1
  Pr  Pr1  4  0.3019  0.1596  0.9468  1
  Pr  Pr2  4  0.3708  0.5328  0.7488  1
  Zn  Zn3  4  0.1488  0.6152  0.2361  1
  Ni  Ni4  2  0.5000  0.0000  0.5000  1
]