data_[Na8Ir6Au2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ir  2.2000  1.3500  0.7650
  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 [13.1061]
_cell_length_b [7.3305]
_cell_length_c [7.4418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Ir3AuS8]
_chemical_formula_sum '[Na8 Ir6 Au2 S16]'
_cell_volume [611.7745]
_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
  Ir  Ir3  4  0.2500  0.2500  0.5000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.5000  1.0
  Au  Au5  2  0.0000  0.0000  0.5000  1.0
  S  S6  8  0.0380  0.2489  0.3298  1.0
  S  S7  4  0.2195  0.5000  0.6800  1.0
  S  S8  4  0.2322  0.5000  0.2712  1.0
]