data_[Au5S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [7.8194]
_cell_length_b [7.8194]
_cell_length_c [18.8273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Au5S8]
_chemical_formula_sum '[Au5 S8]'
_cell_volume [996.9304]
_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
[
  Au  Au0  3  0.0000  0.5000  0.6184  1
  Au  Au1  2  0.3333  0.6667  0.4707  1
  S  S2  6  0.1655  0.3311  0.4152  1
  S  S3  2  0.3333  0.6667  0.6062  1
]