data_[Th12Ge2Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4496]
_cell_length_b [8.4592]
_cell_length_c [12.8959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Th6GeBi3]
_chemical_formula_sum '[Th12 Ge2 Bi6]'
_cell_volume [666.4270]
_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  0.0416  0.0378  0.2385  1
  Th  Th1  4  0.1864  0.6833  0.0593  1
  Th  Th2  4  0.4064  0.1579  0.0562  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.3240  0.1457  0.7468  1
  Bi  Bi5  2  0.5000  0.0000  0.5000  1
]