data_[Pr4Si8Pt16]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [19.1353]
_cell_length_b [4.0417]
_cell_length_c [6.4279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr(SiPt2)2]
_chemical_formula_sum '[Pr4 Si8 Pt16]'
_cell_volume [497.1380]
_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  0.1368  0.7500  0.5070  1
  Si  Si1  4  0.0415  0.2500  0.7661  1
  Si  Si2  4  0.1983  0.7500  0.0730  1
  Pt  Pt3  4  0.0184  0.2500  0.3513  1
  Pt  Pt4  4  0.0670  0.7500  0.0345  1
  Pt  Pt5  4  0.1609  0.2500  0.8739  1
  Pt  Pt6  4  0.2345  0.2500  0.2583  1
]