data_[Tb6Nd2Th4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8030]
_cell_length_b [4.5556]
_cell_length_c [9.0811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Nd(ThBi3)2]
_chemical_formula_sum '[Tb6 Nd2 Th4 Bi12]'
_cell_volume [798.0686]
_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
[
  Tb  Tb0  4  0.1656  0.0000  0.8336  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Nd  Nd2  2  0.0000  0.5000  0.0000  1
  Th  Th3  4  0.1654  0.0000  0.3310  1
  Bi  Bi4  4  0.0016  0.0000  0.7452  1
  Bi  Bi5  4  0.1654  0.5000  0.5873  1
  Bi  Bi6  4  0.1687  0.5000  0.0790  1
]