data_[Tb20Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2801]
_cell_length_b [9.5619]
_cell_length_c [12.0584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb5Bi3]
_chemical_formula_sum '[Tb20 Bi12]'
_cell_volume [954.7031]
_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  8  0.1939  0.0623  0.0573  1
  Tb  Tb1  4  0.0246  0.2500  0.5118  1
  Tb  Tb2  4  0.1481  0.7500  0.7856  1
  Tb  Tb3  4  0.1869  0.2500  0.7801  1
  Bi  Bi4  8  0.0645  0.0046  0.3248  1
  Bi  Bi5  4  0.0911  0.7500  0.0431  1
]