data_[Na8Sn16Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.3947]
_cell_length_b [16.1197]
_cell_length_c [8.5678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Na2Sn4Au3]
_chemical_formula_sum '[Na8 Sn16 Au12]'
_cell_volume [883.1763]
_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  0.1088  0.4036  1
  Sn  Sn1  8  0.0000  0.1831  0.0162  1
  Sn  Sn2  8  0.2500  0.0609  0.7500  1
  Au  Au3  8  0.2500  0.2353  0.7500  1
  Au  Au4  4  0.0000  0.0000  0.0000  1
]