data_[Na12Sn4Au8]
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 [Fmm2]
_cell_length_a [5.7631]
_cell_length_b [9.8533]
_cell_length_c [10.0459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Na3SnAu2]
_chemical_formula_sum '[Na12 Sn4 Au8]'
_cell_volume [570.4594]
_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  0.1613  0.9956  1
  Na  Na1  4  0.0000  0.0000  0.3449  1
  Sn  Sn2  4  0.0000  0.0000  0.6807  1
  Au  Au3  8  0.2500  0.2500  0.2416  1
]