data_[Th8Bi4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5623]
_cell_length_b [6.7043]
_cell_length_c [9.9828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th4Bi2Os]
_chemical_formula_sum '[Th8 Bi4 Os2]'
_cell_volume [427.5029]
_cell_formula_units_Z [2]
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  4  0.2542  0.0154  0.7419  1
  Th  Th1  2  0.1749  0.7500  0.1036  1
  Th  Th2  2  0.2984  0.2500  0.4061  1
  Bi  Bi3  2  0.1845  0.7500  0.4426  1
  Bi  Bi4  2  0.3633  0.2500  0.0506  1
  Os  Os5  2  0.0072  0.2500  0.1710  1
]