data_PPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   91.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPb2Au
_chemical_formula_sum   'P1 Pb2 Au1'
_cell_volume   103.27
_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  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.95  0.0  0.98  1.0
  Pb  Pb3  1  0.08  0.08  0.0  1.0
  Au  Au0  1  0.03  0.08  0.98  1.0

data_PPb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.96
_cell_angle_alpha   91.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPb2Au
_chemical_formula_sum   'P1 Pb2 Au1'
_cell_volume   103.27
_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  0.0  1.0
  Pb  Pb1  1  0.0  0.05  0.02  1.0
  Pb  Pb2  1  0.92  0.92  0.0  1.0
  Au  Au3  1  0.92  0.97  0.02  1.0

P Pb Pb Au