data_P2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   154.7
_cell_angle_beta   146.87
_cell_angle_gamma   42.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2RuAu
_chemical_formula_sum   'P2 Ru1 Au1'
_cell_volume   64.54
_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  0.33  1.0
  P  P2  1  0.43  0.0  0.8  1.0
  Ru  Ru3  1  0.0  0.0  0.71  1.0
  Au  Au0  1  0.0  0.86  0.32  1.0

data_P2RuAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.72
_cell_length_c   6.52
_cell_angle_alpha   106.56
_cell_angle_beta   102.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2RuAu
_chemical_formula_sum   'P2 Ru1 Au1'
_cell_volume   64.54
_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  0.33  0.33  1.0
  P  P1  1  0.0  0.8  0.38  1.0
  Ru  Ru2  1  0.0  0.71  0.71  1.0
  Au  Au3  1  0.14  0.46  0.46  1.0

P P Ru Au
P P Ru Au 0 3 o - o 0 1 o o o 1 3 o - o 2 3 o - o 