data_[Tb12Ru4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6689]
_cell_length_b [4.7020]
_cell_length_c [9.8876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3RuPb]
_chemical_formula_sum '[Tb12 Ru4 Pb4]'
_cell_volume [539.7456]
_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  0.1064  0.5000  0.8862  1.0
  Tb  Tb1  4  0.1199  0.0000  0.1633  1.0
  Tb  Tb2  4  0.1397  0.0000  0.6114  1.0
  Ru  Ru3  4  0.2391  0.0000  0.8786  1.0
  Pb  Pb4  4  0.0861  0.5000  0.3795  1.0
]