data_[Tm8Si16Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.5947]
_cell_length_b [14.7895]
_cell_length_c [7.2551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tm2Si4Pd3]
_chemical_formula_sum '[Tm8 Si16 Pd12]'
_cell_volume [600.3143]
_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  8  0.0000  0.1046  0.5941  1.0
  Si  Si1  8  0.0000  0.1769  0.9767  1.0
  Si  Si2  8  0.2500  0.0632  0.2500  1.0
  Pd  Pd3  8  0.2500  0.2295  0.2500  1.0
  Pd  Pd4  4  0.0000  0.0000  0.0000  1.0
]