data_P2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   147.56
_cell_angle_beta   122.14
_cell_angle_gamma   67.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PbAu
_chemical_formula_sum   'P2 Pb1 Au1'
_cell_volume   87.9
_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  0.62  0.0  0.19  1.0
  P  P2  1  0.0  0.0  0.7  1.0
  Pb  Pb3  1  0.0  0.81  0.18  1.0
  Au  Au0  1  0.0  0.0  0.57  1.0

data_P2PbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.62
_cell_length_c   5.81
_cell_angle_alpha   118.93
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PbAu
_chemical_formula_sum   'P2 Pb1 Au1'
_cell_volume   87.9
_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  0.3  0.3  0.3  1.0
  P  P1  1  0.44  0.81  0.44  1.0
  Pb  Pb2  1  0.82  0.63  0.63  1.0
  Au  Au3  1  0.43  0.43  0.43  1.0

P P Pb Au