data_[Pr12Si12Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1605]
_cell_length_b [11.2425]
_cell_length_c [14.4581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Si3Ni2]
_chemical_formula_sum '[Pr12 Si12 Ni8]'
_cell_volume [676.2659]
_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  0.0721  0.6058  1.0
  Pr  Pr1  4  0.0000  0.3651  0.7500  1.0
  Si  Si2  8  0.0000  0.3378  0.5389  1.0
  Si  Si3  4  0.0000  0.3325  0.2500  1.0
  Ni  Ni4  8  0.0000  0.2198  0.1022  1.0
]