data_[Na12Ga8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4944]
_cell_length_b [10.9548]
_cell_length_c [14.5541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3Ga2Au3]
_chemical_formula_sum '[Na12 Ga8 Au12]'
_cell_volume [716.5741]
_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  0.0000  0.0757  0.6123  1
  Na  Na1  4  0.0000  0.3758  0.7500  1
  Ga  Ga2  8  0.0000  0.2193  0.0901  1
  Au  Au3  8  0.0000  0.3849  0.5427  1
  Au  Au4  4  0.0000  0.3249  0.2500  1
]