data_[Na6Pb1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.5870]
_cell_length_b [8.5870]
_cell_length_c [3.8855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Na6PbAu2]
_chemical_formula_sum '[Na6 Pb1 Au2]'
_cell_volume [248.1197]
_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  3  0.0000  0.2889  0.0000  1.0
  Na  Na1  3  0.0000  0.6068  0.5000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  Au  Au3  2  0.3333  0.6667  0.0000  1.0
]