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 [P2_1/c]
_cell_length_a [8.1724]
_cell_length_b [8.5960]
_cell_length_c [9.1623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3SnAu2]
_chemical_formula_sum '[Na12 Sn4 Au8]'
_cell_volume [619.9561]
_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  0.2307  0.2400  0.6753  1
  Na  Na1  4  0.3174  0.5737  0.8854  1
  Na  Na2  4  0.3275  0.5880  0.5322  1
  Sn  Sn3  4  0.0598  0.6092  0.1382  1
  Au  Au4  4  0.0077  0.0782  0.8655  1
  Au  Au5  4  0.4167  0.6050  0.2272  1
]