data_[Tb14Ni4Bi4]
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 [Imm2]
_cell_length_a [3.7120]
_cell_length_b [16.2873]
_cell_length_c [10.1008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tb7(NiBi)2]
_chemical_formula_sum '[Tb14 Ni4 Bi4]'
_cell_volume [610.6794]
_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  0.0000  0.1551  0.7508  1.0
  Tb  Tb1  4  0.0000  0.1844  0.0940  1.0
  Tb  Tb2  4  0.0000  0.3670  0.9015  1.0
  Tb  Tb3  2  0.0000  0.5000  0.4624  1.0
  Ni  Ni4  4  0.0000  0.2609  0.4096  1.0
  Bi  Bi5  2  0.0000  0.0000  0.2316  1.0
  Bi  Bi6  2  0.0000  0.5000  0.1403  1.0
]