data_PRuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.89
_cell_angle_alpha   108.31
_cell_angle_beta   108.31
_cell_angle_gamma   58.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PRuAu2
_chemical_formula_sum   'P1 Ru1 Au2'
_cell_volume   68.66
_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  P2  1  0.27  0.0  0.1  1.0
  Ru  Ru3  1  0.07  0.0  0.64  1.0
  Au  Au0  1  0.54  0.0  0.39  1.0
  Au  Au1  1  0.47  0.0  0.61  1.0

data_PRuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.82
_cell_length_c   5.89
_cell_angle_alpha   108.31
_cell_angle_beta   90.0
_cell_angle_gamma   119.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PRuAu2
_chemical_formula_sum   'P1 Ru1 Au2'
_cell_volume   68.66
_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  0.73  0.9  1.0
  Ru  Ru1  1  0.0  0.93  0.36  1.0
  Au  Au2  1  0.0  0.46  0.61  1.0
  Au  Au3  1  0.0  0.53  0.39  1.0

P Ru Au Au