data_[Na32Au32S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ccce]
_cell_length_a [14.7934]
_cell_length_b [21.3372]
_cell_length_c [7.1501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [68]
_chemical_formula_structural [NaAuS]
_chemical_formula_sum '[Na32 Au32 S32]'
_cell_volume [2256.9305]
_cell_formula_units_Z [32]
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  16  0.1878  0.1851  0.8382  1
  Na  Na1  8  0.0000  0.1135  0.0000  1
  Na  Na2  8  0.2479  0.0000  0.0000  1
  Au  Au3  16  0.1230  0.1232  0.4714  1
  Au  Au4  8  0.0000  0.0000  0.2779  1
  Au  Au5  8  0.0000  0.2500  0.2500  1
  S  S6  16  0.1297  0.6894  0.2874  1
  S  S7  16  0.1300  0.0621  0.7429  1
]