data_[Tm20Pd8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.4748]
_cell_length_b [8.5202]
_cell_length_c [7.1810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tm5(PdPb)2]
_chemical_formula_sum '[Tm20 Pd8 Pb8]'
_cell_volume [946.8050]
_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
[
  Tm  Tm0  16  0.1196  0.1794  0.6514  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  8  0.0000  0.1258  0.3633  1.0
  Pb  Pb3  8  0.2135  0.0000  0.0000  1.0
]