data_[Pb7Au1]
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 [8.5914]
_cell_length_b [8.5914]
_cell_length_c [17.9530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Pb7Au]
_chemical_formula_sum '[Pb7 Au1]'
_cell_volume [1147.6133]
_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  0.2017  0.4035  0.4930  1
  Pb  Pb1  1  0.0000  0.0000  0.6031  1
  Au  Au2  1  0.0000  0.0000  0.4386  1
]