data_[Tb12Sm4Bi8]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7765]
_cell_length_b [4.3861]
_cell_length_c [10.0024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3SmBi2]
_chemical_formula_sum '[Tb12 Sm4 Bi8]'
_cell_volume [752.1515]
_cell_formula_units_Z [4]
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  0.0570  0.0000  0.6715  1
  Tb  Tb1  4  0.1412  0.5000  0.4770  1
  Tb  Tb2  4  0.1882  0.5000  0.8909  1
  Sm  Sm3  4  0.1107  0.0000  0.1149  1
  Bi  Bi4  4  0.0094  0.5000  0.8427  1
  Bi  Bi5  4  0.2492  0.0000  0.7154  1
]