data_PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   134.87
_cell_angle_beta   134.87
_cell_angle_gamma   65.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PAu
_chemical_formula_sum   'P2 Au2'
_cell_volume   68.81
_cell_formula_units_Z   2
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  0.99  0.18  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.99  0.0  0.18  1.0
  Au  Au1  1  0.0  0.0  0.35  1.0

data_PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   5.18
_cell_angle_alpha   112.57
_cell_angle_beta   112.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PAu
_chemical_formula_sum   'P2 Au2'
_cell_volume   68.81
_cell_formula_units_Z   2
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
  P  P1  1  0.19  0.18  0.19  1.0
  Au  Au2  1  0.18  0.19  0.19  1.0
  Au  Au3  1  0.35  0.35  0.35  1.0

P P Au Au