data_[Pr8Si12Ni20]
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 [Ibam]
_cell_length_a [9.4330]
_cell_length_b [11.7847]
_cell_length_c [5.6940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Si3Ni5]
_chemical_formula_sum '[Pr8 Si12 Ni20]'
_cell_volume [632.9701]
_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  0.2440  0.1293  0.5000  1.0
  Si  Si1  8  0.1320  0.3830  0.5000  1.0
  Si  Si2  4  0.0000  0.0000  0.2500  1.0
  Ni  Ni3  8  0.0000  0.2701  0.2500  1.0
  Ni  Ni4  8  0.1179  0.1227  0.0000  1.0
  Ni  Ni5  4  0.0000  0.5000  0.2500  1.0
]