data_[Pr12Zn12Ni8]
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 [Cmcm]
_cell_length_a [4.2447]
_cell_length_b [10.2112]
_cell_length_c [15.6386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Zn3Ni2]
_chemical_formula_sum '[Pr12 Zn12 Ni8]'
_cell_volume [677.8326]
_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  0.0000  0.0739  0.6048  1.0
  Pr  Pr1  4  0.0000  0.3598  0.7500  1.0
  Zn  Zn2  8  0.0000  0.3580  0.5360  1.0
  Zn  Zn3  4  0.0000  0.3441  0.2500  1.0
  Ni  Ni4  8  0.0000  0.2146  0.1091  1.0
]