data_[Th24Tc12Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.1850]
_cell_length_b [10.1850]
_cell_length_c [10.1850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Th12Tc6Bi]
_chemical_formula_sum '[Th24 Tc12 Bi2]'
_cell_volume [1056.5199]
_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  24  0.0000  0.3074  0.1855  1
  Tc  Tc1  12  0.0000  0.1412  0.5000  1
  Bi  Bi2  2  0.0000  0.0000  0.0000  1
]