data_[Th8Ga2Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.9109]
_cell_length_b [9.0894]
_cell_length_c [7.8074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Th4GaBi3]
_chemical_formula_sum '[Th8 Ga2 Bi6]'
_cell_volume [529.3342]
_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  0.2263  0.1140  0.0009  1
  Th  Th1  4  0.2379  0.3579  0.4858  1
  Ga  Ga2  2  0.0000  0.1241  0.2500  1
  Bi  Bi3  2  0.0000  0.3780  0.7500  1
  Bi  Bi4  2  0.5000  0.1238  0.7500  1
  Bi  Bi5  2  0.5000  0.3789  0.2500  1
]