data_P2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PbAu
_chemical_formula_sum   'P2 Pb1 Au1'
_cell_volume   98.8
_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  P1  1  0.6  0.0  0.07  1.0
  P  P2  1  0.0  0.0  0.66  1.0
  Pb  Pb3  1  0.6  0.0  0.51  1.0
  Au  Au0  1  0.0  0.0  0.06  1.0

data_P2PbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.68
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PbAu
_chemical_formula_sum   'P2 Pb1 Au1'
_cell_volume   98.8
_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  0.0  0.0  0.66  1.0
  P  P1  1  0.0  0.6  0.07  1.0
  Pb  Pb2  1  0.0  0.6  0.51  1.0
  Au  Au3  1  0.0  0.0  0.06  1.0

P P Pb Au
P P Pb Au 0 3 + o o 1 2 - o o 