data_[Th3Si3Pt3]
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 [P-6m2]
_cell_length_a [4.2755]
_cell_length_b [4.2755]
_cell_length_c [12.1340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [ThSiPt]
_chemical_formula_sum '[Th3 Si3 Pt3]'
_cell_volume [192.0928]
_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  2  0.3333  0.6667  0.6676  1
  Th  Th1  1  0.3333  0.6667  0.0000  1
  Si  Si2  2  0.6667  0.3333  0.1627  1
  Si  Si3  1  0.0000  0.0000  0.5000  1
  Pt  Pt4  2  0.0000  0.0000  0.1728  1
  Pt  Pt5  1  0.6667  0.3333  0.5000  1
]