data_[As2Au2S2]
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 [P2_1/m]
_cell_length_a [5.5212]
_cell_length_b [3.2601]
_cell_length_c [8.8905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AsAuS]
_chemical_formula_sum '[As2 Au2 S2]'
_cell_volume [159.4916]
_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  0.2281  0.2500  0.3496  1
  Au  Au1  2  0.4426  0.2500  0.1160  1
  S  S2  2  0.0553  0.2500  0.7017  1
]