data_[Na12In12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3034]
_cell_length_b [16.9531]
_cell_length_c [5.8646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na3In3Au2]
_chemical_formula_sum '[Na12 In12 Au8]'
_cell_volume [825.5499]
_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  0.0350  0.6126  0.5942  1
  Na  Na1  4  0.1620  0.7500  0.1557  1
  In  In2  8  0.1884  0.5384  0.0913  1
  In  In3  4  0.1727  0.2500  0.1610  1
  Au  Au4  8  0.1111  0.1154  0.9078  1
]