data_[Th48Si16Bi32]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [9.0609]
_cell_length_b [12.6993]
_cell_length_c [26.6395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Th3SiBi2]
_chemical_formula_sum '[Th48 Si16 Bi32]'
_cell_volume [3065.3345]
_cell_formula_units_Z [16]
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  32  0.0151  0.2367  0.0886  1
  Th  Th1  16  0.0301  0.2500  0.2500  1
  Si  Si2  16  0.0000  0.0000  0.0836  1
  Bi  Bi3  16  0.0000  0.0000  0.2543  1
  Bi  Bi4  16  0.0000  0.0000  0.4202  1
]