data_[Tb16Fe2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4635]
_cell_length_b [4.5980]
_cell_length_c [7.2757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8FeBi2]
_chemical_formula_sum '[Tb16 Fe2 Bi4]'
_cell_volume [646.0401]
_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  0.0016  0.0000  0.7797  1.0
  Tb  Tb1  4  0.0929  0.5000  0.5143  1.0
  Tb  Tb2  4  0.1296  0.5000  0.0388  1.0
  Tb  Tb3  4  0.2146  0.0000  0.3408  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1825  0.0000  0.7813  1.0
]