data_[Tm3Pd21Au36]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.1733]
_cell_length_b [11.1733]
_cell_length_c [9.8385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TmPd7Au12]
_chemical_formula_sum '[Tm3 Pd21 Au36]'
_cell_volume [1063.7073]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  18  0.0497  0.5249  0.6247  1.0
  Pd  Pd2  3  0.0000  0.0000  0.5000  1.0
  Au  Au3  18  0.0000  0.2616  0.5000  1.0
  Au  Au4  18  0.0854  0.1708  0.2523  1.0
]