data_[Pr8In36Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4875]
_cell_length_b [8.3684]
_cell_length_c [11.5576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2(In3Pt)3]
_chemical_formula_sum '[Pr8 In36 Pt12]'
_cell_volume [1272.8877]
_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  0.1683  0.4163  0.7514  1
  In  In1  8  0.0588  0.5752  0.9254  1
  In  In2  8  0.1079  0.1904  0.2491  1
  In  In3  8  0.1082  0.0875  0.5648  1
  In  In4  8  0.2285  0.0868  0.9246  1
  In  In5  4  0.0000  0.1335  0.7500  1
  Pt  Pt6  8  0.0834  0.2500  0.0003  1
  Pt  Pt7  4  0.2500  0.2500  0.5000  1
]