data_[Th24Os9Pt3S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1903]
_cell_length_b [8.1903]
_cell_length_c [21.3782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th8Os3PtS4]
_chemical_formula_sum '[Th24 Os9 Pt3 S12]'
_cell_volume [1241.9553]
_cell_formula_units_Z [3]
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  18  0.0081  0.5040  0.2577  1
  Th  Th1  6  0.0000  0.0000  0.2579  1
  Os  Os2  9  0.0000  0.5000  0.0000  1
  Pt  Pt3  3  -0.0000  -0.0000  0.0000  1
  S  S4  9  0.0000  0.5000  0.5000  1
  S  S5  3  -0.0000  -0.0000  0.5000  1
]