data_[Na8Pb2Au1]
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-1]
_cell_length_a [5.7647]
_cell_length_b [6.9062]
_cell_length_c [8.7146]
_cell_angle_alpha [76.4213]
_cell_angle_beta [82.5587]
_cell_angle_gamma [89.2472]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na8Pb2Au]
_chemical_formula_sum '[Na8 Pb2 Au1]'
_cell_volume [334.3534]
_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  0.0044  0.2496  0.9932  1.0
  Na  Na1  2  0.1158  0.0836  0.6367  1.0
  Na  Na2  2  0.4183  0.6808  0.3100  1.0
  Na  Na3  2  0.4393  0.2506  0.2377  1.0
  Pb  Pb4  2  0.0817  0.5779  0.6567  1.0
  Au  Au5  1  0.5000  0.0000  0.0000  1.0
]