data_[Tb6Pd6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [14.5448]
_cell_length_b [3.7260]
_cell_length_c [7.9066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TbPdPb]
_chemical_formula_sum '[Tb6 Pd6 Pb6]'
_cell_volume [428.4837]
_cell_formula_units_Z [6]
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  0.0522  0.0000  0.7824  1.0
  Tb  Tb1  2  0.2500  0.0000  0.1764  1.0
  Pd  Pd2  4  0.0914  0.5000  0.0728  1.0
  Pd  Pd3  2  0.2500  0.0000  0.5688  1.0
  Pb  Pb4  4  0.1147  0.5000  0.4409  1.0
  Pb  Pb5  2  0.2500  0.5000  0.8377  1.0
]