data_[Pb1Au4]
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 [P-1]
_cell_length_a [4.6642]
_cell_length_b [5.0084]
_cell_length_c [5.1579]
_cell_angle_alpha [81.6888]
_cell_angle_beta [66.9516]
_cell_angle_gamma [69.3308]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PbAu4]
_chemical_formula_sum '[Pb1 Au4]'
_cell_volume [103.7321]
_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  1  0.0000  0.0000  0.0000  1.0
  Au  Au1  2  0.1986  0.2212  0.3904  1.0
  Au  Au2  2  0.4454  0.3787  0.7790  1.0
]