data_[In2Sn2Au6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  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 [6.2294]
_cell_length_b [7.4781]
_cell_length_c [10.3245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InSnAu3S4]
_chemical_formula_sum '[In2 Sn2 Au6 S8]'
_cell_volume [470.0916]
_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
[
  In  In0  2  0.1276  0.2500  0.3901  1
  Sn  Sn1  2  0.0749  0.2500  0.7774  1
  Au  Au2  4  0.3738  0.5563  0.1014  1
  Au  Au3  2  0.4724  0.2500  0.6247  1
  S  S4  4  0.2973  0.5135  0.7480  1
  S  S5  2  0.0686  0.7500  0.0153  1
  S  S6  2  0.1793  0.7500  0.4350  1
]