data_[Th8Si8Pt24]
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 [C2/c]
_cell_length_a [12.2539]
_cell_length_b [6.7168]
_cell_length_c [10.0151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ThSiPt3]
_chemical_formula_sum '[Th8 Si8 Pt24]'
_cell_volume [763.7460]
_cell_formula_units_Z [8]
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  0.1023  0.2932  0.1337  1
  Si  Si1  4  0.0000  0.3216  0.7500  1
  Si  Si2  4  0.2500  0.2500  0.5000  1
  Pt  Pt3  8  0.0946  0.0089  0.3751  1
  Pt  Pt4  8  0.1276  0.1795  0.6376  1
  Pt  Pt5  8  0.1913  0.4245  0.8970  1
]