data_[Hg2Au13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1272]
_cell_length_b [7.1196]
_cell_length_c [7.7459]
_cell_angle_alpha [62.9150]
_cell_angle_beta [80.6397]
_cell_angle_gamma [76.8903]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg2Au13]
_chemical_formula_sum '[Hg2 Au13]'
_cell_volume [292.3131]
_cell_formula_units_Z [1]
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
[
  Hg  Hg0  2  0.1046  0.1549  0.5789  1.0
  Au  Au1  2  0.0243  0.7206  0.8308  1.0
  Au  Au2  2  0.1733  0.5714  0.2219  1.0
  Au  Au3  2  0.2804  0.4975  0.5927  1.0
  Au  Au4  2  0.3792  0.9070  0.2393  1.0
  Au  Au5  2  0.4032  0.3408  0.9721  1.0
  Au  Au6  2  0.4661  0.7951  0.6506  1.0
  Au  Au7  1  0.0000  0.0000  0.0000  1.0
]