data_[Th12Ge10Bi2]
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 [C2/m]
_cell_length_a [7.5525]
_cell_length_b [13.0639]
_cell_length_c [7.5399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Ge5Bi]
_chemical_formula_sum '[Th12 Ge10 Bi2]'
_cell_volume [701.1792]
_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  8  0.2402  0.3264  0.7414  1
  Th  Th1  4  0.2380  0.5000  0.2556  1
  Ge  Ge2  4  0.0000  0.1614  0.5000  1
  Ge  Ge3  4  0.0000  0.3326  0.0000  1
  Ge  Ge4  2  0.0000  0.5000  0.5000  1
  Bi  Bi5  2  0.0000  0.0000  0.0000  1
]