data_[Th8Si24Pt84]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3895]
_cell_length_b [12.3895]
_cell_length_c [12.3895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Th2(Si2Pt7)3]
_chemical_formula_sum '[Th8 Si24 Pt84]'
_cell_volume [1901.7713]
_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
[
  Th  Th0  8  0.2500  0.2500  0.2500  1
  Si  Si1  24  0.0000  0.0000  0.2630  1
  Pt  Pt2  48  0.0000  0.1731  0.8269  1
  Pt  Pt3  32  0.1145  0.1145  0.3855  1
  Pt  Pt4  4  0.0000  0.0000  0.0000  1
]