data_[Th6Bi2Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0823]
_cell_length_b [7.3071]
_cell_length_c [8.5219]
_cell_angle_alpha [70.2798]
_cell_angle_beta [70.2941]
_cell_angle_gamma [75.9337]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Th3BiSb]
_chemical_formula_sum '[Th6 Bi2 Sb2]'
_cell_volume [332.0638]
_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  2  0.1105  0.8244  0.7015  1
  Th  Th1  2  0.1443  0.6806  0.1733  1
  Th  Th2  2  0.4812  0.9919  0.7984  1
  Bi  Bi3  2  0.2726  0.2792  0.4695  1
  Sb  Sb4  2  0.2876  0.3781  0.9330  1
]