data_[Na4Bi16Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2100]
_cell_length_b [9.8928]
_cell_length_c [9.5015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na(Bi2Au)2]
_chemical_formula_sum '[Na4 Bi16 Au8]'
_cell_volume [852.5011]
_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  4  0.0000  0.1213  0.7500  1
  Bi  Bi1  8  0.0649  0.2229  0.1231  1
  Bi  Bi2  8  0.1921  0.4727  0.8767  1
  Au  Au3  4  0.0000  0.5000  0.0000  1
  Au  Au4  4  0.2500  0.2500  0.5000  1
]