data_GePbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   3.61
_cell_angle_alpha   92.78
_cell_angle_beta   92.78
_cell_angle_gamma   103.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePbAu2
_chemical_formula_sum   'Ge1 Pb1 Au2'
_cell_volume   86.99
_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
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.09  0.0  0.0  1.0
  Au  Au0  1  0.41  0.96  0.8  1.0
  Au  Au1  1  0.41  0.04  0.8  1.0

data_GePbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   103.3
_cell_angle_beta   92.78
_cell_angle_gamma   92.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GePbAu2
_chemical_formula_sum   'Ge1 Pb1 Au2'
_cell_volume   86.99
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.09  0.0  1.0
  Au  Au2  1  0.8  0.41  0.04  1.0
  Au  Au3  1  0.8  0.41  0.96  1.0

Ge Pb Au Au