data_[Pr28Si20Ni8]
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 [Pnma]
_cell_length_a [23.1982]
_cell_length_b [4.3004]
_cell_length_c [13.7286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr7Si5Ni2]
_chemical_formula_sum '[Pr28 Si20 Ni8]'
_cell_volume [1369.5757]
_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  0.0198  0.7500  0.1156  1
  Pr  Pr1  4  0.0682  0.7500  0.5429  1
  Pr  Pr2  4  0.1038  0.2500  0.3070  1
  Pr  Pr3  4  0.1169  0.2500  0.7494  1
  Pr  Pr4  4  0.1332  0.2500  0.0244  1
  Pr  Pr5  4  0.2258  0.7500  0.3987  1
  Pr  Pr6  4  0.2372  0.7500  0.6639  1
  Si  Si7  4  0.0061  0.7500  0.3411  1
  Si  Si8  4  0.0726  0.7500  0.8941  1
  Si  Si9  4  0.1656  0.7500  0.1797  1
  Si  Si10  4  0.1672  0.2500  0.5327  1
  Si  Si11  4  0.1786  0.7500  0.8767  1
  Ni  Ni12  4  0.0187  0.7500  0.7438  1
  Ni  Ni13  4  0.2274  0.7500  0.0300  1
]