data_[Hg11Au3]
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 [P31m]
_cell_length_a [9.8126]
_cell_length_b [9.8126]
_cell_length_c [18.2807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Hg11Au3]
_chemical_formula_sum '[Hg11 Au3]'
_cell_volume [1524.3816]
_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  6  0.1749  0.8249  0.4364  1
  Hg  Hg1  3  0.0000  0.7847  0.6081  1
  Hg  Hg2  2  0.3333  0.6667  0.6126  1
  Au  Au3  2  0.3333  0.6667  0.4496  1
  Au  Au4  1  0.0000  0.0000  0.4331  1
]