data_[Na16Bi24Au8]
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 [Fmmm]
_cell_length_a [6.5057]
_cell_length_b [10.8812]
_cell_length_c [18.8714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Na2Bi3Au]
_chemical_formula_sum '[Na16 Bi24 Au8]'
_cell_volume [1335.9021]
_cell_formula_units_Z [8]
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  0.2474  0.0000  0.0000  1
  Na  Na1  8  0.2500  0.2500  0.2500  1
  Bi  Bi2  16  0.0000  0.2317  0.4101  1
  Bi  Bi3  8  0.0000  0.0000  0.1762  1
  Au  Au4  8  0.0000  0.0000  0.3294  1
]