data_[Na12Sb12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3668]
_cell_length_b [4.8047]
_cell_length_c [15.2765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Sb3Au]
_chemical_formula_sum '[Na12 Sb12 Au4]'
_cell_volume [785.8080]
_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  0.0273  0.5000  0.3765  1
  Na  Na1  4  0.0926  0.5000  0.9171  1
  Na  Na2  4  0.2428  0.5000  0.2351  1
  Sb  Sb3  4  0.0341  0.0000  0.2334  1
  Sb  Sb4  4  0.1170  0.0000  0.0758  1
  Sb  Sb5  4  0.1360  0.0000  0.5358  1
  Au  Au6  4  0.2491  0.0000  0.3864  1
]