data_[Tb5Ru4Pb1]
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 [P4/mmm]
_cell_length_a [3.4690]
_cell_length_b [3.4690]
_cell_length_c [18.0722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb5Ru4Pb]
_chemical_formula_sum '[Tb5 Ru4 Pb1]'
_cell_volume [217.4770]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.1327  1.0
  Tb  Tb1  2  0.5000  0.5000  0.3155  1.0
  Tb  Tb2  1  0.5000  0.5000  0.5000  1.0
  Ru  Ru3  2  0.0000  0.0000  0.2198  1.0
  Ru  Ru4  2  0.0000  0.0000  0.4071  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0000  1.0
]