data_[Au8S16]
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 [Cc]
_cell_length_a [6.7892]
_cell_length_b [11.5075]
_cell_length_c [8.3746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [AuS2]
_chemical_formula_sum '[Au8 S16]'
_cell_volume [608.2000]
_cell_formula_units_Z [8]
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  4  0.1874  0.3523  0.6719  1.0
  Au  Au1  4  0.2084  0.0006  0.1461  1.0
  S  S2  4  0.0933  0.3752  0.0344  1.0
  S  S3  4  0.1581  0.2441  0.8977  1.0
  S  S4  4  0.2435  0.4812  0.4823  1.0
  S  S5  4  0.2491  0.0938  0.4086  1.0
]