data_[Yb3Tl3Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1063]
_cell_length_b [8.1063]
_cell_length_c [3.8793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [YbTlAu]
_chemical_formula_sum '[Yb3 Tl3 Au3]'
_cell_volume [220.7692]
_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
[
  Yb  Yb0  3  0.0000  0.6014  0.0000  1.0
  Tl  Tl1  3  0.0000  0.2736  0.5000  1.0
  Au  Au2  2  0.3333  0.6667  0.5000  1.0
  Au  Au3  1  0.0000  0.0000  0.0000  1.0
]