data_[Na8As4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7589]
_cell_length_b [5.5507]
_cell_length_c [8.4267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2AsAu2]
_chemical_formula_sum '[Na8 As4 Au8]'
_cell_volume [448.4036]
_cell_formula_units_Z [4]
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  8  0.1526  0.3781  0.6668  1
  As  As1  4  0.0000  0.1402  0.2500  1
  Au  Au2  8  0.1282  0.1235  0.9847  1
]