data_[Pr20Si4Ni8]
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/mcm]
_cell_length_a [7.8951]
_cell_length_b [7.8951]
_cell_length_c [13.2611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pr5SiNi2]
_chemical_formula_sum '[Pr20 Si4 Ni8]'
_cell_volume [826.6046]
_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  16  0.1631  0.3369  0.3573  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.0000  0.0000  0.2500  1
  Ni  Ni3  8  0.1217  0.6217  0.5000  1
]