data_[Pr4Si12Ni8]
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 [I4/mmm]
_cell_length_a [4.0191]
_cell_length_b [4.0191]
_cell_length_c [24.0504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [PrSi3Ni2]
_chemical_formula_sum '[Pr4 Si12 Ni8]'
_cell_volume [388.4980]
_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  4  0.0000  0.0000  0.1501  1.0
  Si  Si1  8  0.0000  0.5000  0.0493  1.0
  Si  Si2  4  0.0000  0.0000  0.3012  1.0
  Ni  Ni3  4  0.0000  0.0000  0.4035  1.0
  Ni  Ni4  4  0.0000  0.5000  0.2500  1.0
]