data_[Na2Sn7Au12]
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 [P-3]
_cell_length_a [10.4085]
_cell_length_b [10.4085]
_cell_length_c [5.1800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Na2Sn7Au12]
_chemical_formula_sum '[Na2 Sn7 Au12]'
_cell_volume [486.0018]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.8521  1
  Sn  Sn1  6  0.1077  0.7137  0.3536  1
  Sn  Sn2  1  0.0000  0.0000  0.5000  1
  Au  Au3  6  0.0601  0.4474  0.1908  1
  Au  Au4  6  0.1255  0.2599  0.8390  1
]