data_[Tm12Cd3Ru6Au3]
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
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9284]
_cell_length_b [4.9284]
_cell_length_c [24.0554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm4CdRu2Au]
_chemical_formula_sum '[Tm12 Cd3 Ru6 Au3]'
_cell_volume [506.0148]
_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  0.1273  1
  Tm  Tm1  6  0.0000  0.0000  0.3771  1
  Cd  Cd2  3  0.0000  0.0000  0.0000  1
  Ru  Ru3  6  0.0000  0.0000  0.2514  1
  Au  Au4  3  -0.0000  -0.0000  0.5000  1
]