data_PPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   137.98
_cell_angle_beta   116.65
_cell_angle_gamma   78.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPbAu2
_chemical_formula_sum   'P1 Pb1 Au2'
_cell_volume   88.93
_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
  P  P2  1  0.0  0.0  0.71  1.0
  Pb  Pb3  1  0.0  0.81  0.09  1.0
  Au  Au0  1  0.0  0.0  0.22  1.0
  Au  Au1  1  0.92  0.0  0.23  1.0

data_PPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   63.35
_cell_angle_beta   68.99
_cell_angle_gamma   68.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPbAu2
_chemical_formula_sum   'P1 Pb1 Au2'
_cell_volume   88.93
_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
  P  P0  1  0.71  0.0  0.29  1.0
  Pb  Pb1  1  0.09  0.0  0.72  1.0
  Au  Au2  1  0.22  0.0  0.78  1.0
  Au  Au3  1  0.32  0.92  0.77  1.0

P Pb Au Au