data_[Tb12Er4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.3947]
_cell_length_b [9.3947]
_cell_length_c [9.3947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Tb3ErBi3]
_chemical_formula_sum '[Tb12 Er4 Bi12]'
_cell_volume [829.1815]
_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  0.0710  0.4290  0.5710  1
  Tb  Tb1  4  0.1761  0.8239  0.3239  1
  Tb  Tb2  4  0.1771  0.1771  0.1771  1
  Er  Er3  4  0.0740  0.5740  0.9260  1
  Bi  Bi4  12  0.0009  0.2526  0.8738  1
]