data_[Pb9Au7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.3173]
_cell_length_b [9.3173]
_cell_length_c [19.1323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Pb9Au7]
_chemical_formula_sum '[Pb9 Au7]'
_cell_volume [1438.4062]
_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
[
  Pb  Pb0  6  0.2142  0.4284  0.5922  1
  Pb  Pb1  2  0.3333  0.6667  0.4194  1
  Pb  Pb2  1  0.0000  0.0000  0.3762  1
  Au  Au3  6  0.1689  0.3378  0.4504  1
  Au  Au4  1  0.0000  0.0000  0.5294  1
]