data_[Au6O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [6.8339]
_cell_length_b [6.8339]
_cell_length_c [19.0514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Au3O4]
_chemical_formula_sum '[Au6 O8]'
_cell_volume [770.5347]
_cell_formula_units_Z [2]
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
[
  Au  Au0  3  0.0000  0.5000  0.5394  1
  Au  Au1  2  0.3333  0.6667  0.6349  1
  Au  Au2  1  0.0000  0.0000  0.5854  1
  O  O3  6  0.1670  0.7182  0.4470  1
  O  O4  2  0.3333  0.6667  0.4222  1
]