data_[Tb6Ru4Pb6]
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 [16.5550]
_cell_length_b [4.7448]
_cell_length_c [5.2528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Ru2Pb3]
_chemical_formula_sum '[Tb6 Ru4 Pb6]'
_cell_volume [404.9634]
_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  0.1745  0.0000  0.5900  1.0
  Tb  Tb1  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  4  0.2147  0.0000  0.1124  1.0
  Pb  Pb3  4  0.1322  0.5000  0.0746  1.0
  Pb  Pb4  2  0.0000  0.5000  0.5000  1.0
]