data_[Tm2Pd6Pb2]
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 [Pmmn]
_cell_length_a [4.6399]
_cell_length_b [5.7451]
_cell_length_c [7.6180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [TmPd3Pb]
_chemical_formula_sum '[Tm2 Pd6 Pb2]'
_cell_volume [203.0684]
_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
[
  Tm  Tm0  2  0.0000  0.5000  0.3726  1.0
  Pd  Pd1  4  0.0000  0.2608  0.7374  1.0
  Pd  Pd2  2  0.0000  0.0000  0.4112  1.0
  Pb  Pb3  2  0.0000  0.0000  0.0495  1.0
]