data_[Yb12Sn12Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8364]
_cell_length_b [4.8364]
_cell_length_c [47.3775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Yb2Sn2Au3]
_chemical_formula_sum '[Yb12 Sn12 Au18]'
_cell_volume [959.7441]
_cell_formula_units_Z [6]
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
[
  Yb  Yb0  6  0.0000  0.0000  0.4225  1.0
  Yb  Yb1  3  -0.0000  -0.0000  0.5000  1.0
  Yb  Yb2  3  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  6  0.0000  0.0000  0.1258  1.0
  Sn  Sn4  6  0.0000  0.0000  0.2915  1.0
  Au  Au5  6  0.0000  0.0000  0.0649  1.0
  Au  Au6  6  0.0000  0.0000  0.2021  1.0
  Au  Au7  6  0.0000  0.0000  0.3567  1.0
]