data_[Th12Ge6Bi2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3944]
_cell_length_b [4.3870]
_cell_length_c [8.9123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Ge3BiSb2]
_chemical_formula_sum '[Th12 Ge6 Bi2 Sb4]'
_cell_volume [733.8467]
_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  0.0048  0.0000  0.7333  1
  Th  Th1  4  0.1619  0.5000  0.5944  1
  Th  Th2  4  0.1734  0.5000  0.0719  1
  Ge  Ge3  4  0.1661  0.0000  0.8325  1
  Ge  Ge4  2  0.0000  0.5000  0.5000  1
  Bi  Bi5  2  0.0000  0.5000  0.0000  1
  Sb  Sb6  4  0.1666  0.0000  0.3325  1
]