data_SiPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   148.59
_cell_angle_beta   147.14
_cell_angle_gamma   46.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPbAu
_chemical_formula_sum   'Si1 Pb1 Au1'
_cell_volume   67.78
_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  Si2  1  0.0  0.0  0.17  1.0
  Pb  Pb1  1  0.0  0.0  0.79  1.0
  Au  Au0  1  0.0  0.0  0.48  1.0

data_SiPbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.52
_cell_length_c   6.22
_cell_angle_alpha   106.43
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPbAu
_chemical_formula_sum   'Si1 Pb1 Au1'
_cell_volume   67.78
_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  0.0  0.17  0.17  1.0
  Pb  Pb1  1  0.0  0.79  0.79  1.0
  Au  Au2  1  0.0  0.48  0.48  1.0

Si Pb Au