data_[Na12Sn4Au12]
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 [C2/m]
_cell_length_a [8.4117]
_cell_length_b [10.0913]
_cell_length_c [8.2438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3SnAu3]
_chemical_formula_sum '[Na12 Sn4 Au12]'
_cell_volume [699.7568]
_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  0.0000  0.1554  0.5000  1
  Na  Na1  4  0.0000  0.2705  0.0000  1
  Na  Na2  4  0.0406  0.5000  0.3125  1
  Sn  Sn3  4  0.1858  0.0000  0.1554  1
  Au  Au4  8  0.2385  0.2536  0.7347  1
  Au  Au5  4  0.1395  0.0000  0.8165  1
]