data_[Si1Pb1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1487]
_cell_length_b [4.6177]
_cell_length_c [4.9432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SiPbAu2]
_chemical_formula_sum '[Si1 Pb1 Au2]'
_cell_volume [94.6980]
_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
[
  Si  Si0  1  0.0055  0.5000  0.7799  1.0
  Pb  Pb1  1  0.4996  0.0000  0.4693  1.0
  Au  Au2  1  0.0047  0.0000  0.9553  1.0
  Au  Au3  1  0.9902  0.5000  0.2954  1.0
]