data_[Tb4Sm2Th6Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  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 [19.8581]
_cell_length_b [4.5624]
_cell_length_c [9.0901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Sm(ThBi2)3]
_chemical_formula_sum '[Tb4 Sm2 Th6 Bi12]'
_cell_volume [802.2157]
_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  0.1666  0.0000  0.3329  1
  Sm  Sm1  2  0.0000  0.5000  0.0000  1
  Th  Th2  4  0.1657  0.0000  0.8328  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Bi  Bi4  4  0.0023  0.0000  0.2487  1
  Bi  Bi5  4  0.1664  0.5000  0.0885  1
  Bi  Bi6  4  0.1686  0.5000  0.5787  1
]