data_[As2Au2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3695]
_cell_length_b [7.5988]
_cell_length_c [8.6730]
_cell_angle_alpha [79.8841]
_cell_angle_beta [84.3890]
_cell_angle_gamma [77.9225]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsAuS4]
_chemical_formula_sum '[As2 Au2 S8]'
_cell_volume [403.2955]
_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
[
  As  As0  2  0.2557  0.7488  0.7524  1.0
  Au  Au1  1  0.0000  0.0000  0.0000  1.0
  Au  Au2  1  0.5000  0.5000  0.5000  1.0
  S  S3  2  0.0400  0.0179  0.7224  1.0
  S  S4  2  0.1637  0.5334  0.6490  1.0
  S  S5  2  0.2414  0.7137  0.0100  1.0
  S  S6  2  0.4241  0.2702  0.3713  1.0
]