data_[Tb20Ru8Pb4]
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 [I4/mcm]
_cell_length_a [7.7556]
_cell_length_b [7.7556]
_cell_length_c [13.8754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Tb5Ru2Pb]
_chemical_formula_sum '[Tb20 Ru8 Pb4]'
_cell_volume [834.6056]
_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  16  0.1582  0.3418  0.1306  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Ru  Ru2  8  0.1424  0.3576  0.5000  1
  Pb  Pb3  4  0.0000  0.0000  0.2500  1
]