data_[Tb20Ni4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4158]
_cell_length_b [16.3304]
_cell_length_c [13.8114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb5NiBi2]
_chemical_formula_sum '[Tb20 Ni4 Bi8]'
_cell_volume [1221.4965]
_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  0.0000  0.0615  0.1175  1
  Tb  Tb1  8  0.0000  0.2758  0.0928  1
  Tb  Tb2  4  0.0000  0.3003  0.7500  1
  Ni  Ni3  4  0.0000  0.1762  0.2500  1
  Bi  Bi4  8  0.0000  0.1328  0.5940  1
]