data_[Na8Sn6Au2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/m]
_cell_length_a [13.7260]
_cell_length_b [7.6078]
_cell_length_c [8.0744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Sn3AuS8]
_chemical_formula_sum '[Na8 Sn6 Au2 S16]'
_cell_volume [707.1724]
_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
[
  Na  Na0  4  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn3  4  0.2500  0.2500  0.5000  1.0
  Sn  Sn4  2  0.0000  0.5000  0.5000  1.0
  Au  Au5  2  0.0000  0.0000  0.5000  1.0
  S  S6  8  0.0119  0.2419  0.2901  1.0
  S  S7  4  0.2358  0.5000  0.2604  1.0
  S  S8  4  0.2418  0.5000  0.7304  1.0
]