data_[Tm12Cd3Pd3Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  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 [5.0475]
_cell_length_b [5.0475]
_cell_length_c [24.6867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm4CdPdAu2]
_chemical_formula_sum '[Tm12 Cd3 Pd3 Au6]'
_cell_volume [544.6855]
_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  6  0.0000  0.0000  0.1299  1.0
  Tm  Tm1  6  0.0000  0.0000  0.3812  1.0
  Cd  Cd2  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1.0
  Au  Au4  6  0.0000  0.0000  0.2573  1.0
]