data_PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.46
_cell_length_c   4.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PRu
_chemical_formula_sum   'P2 Ru2'
_cell_volume   52.92
_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  0.5  1.0
  P  P1  1  0.47  0.23  0.53  1.0
  Ru  Ru2  1  0.47  0.0  0.45  1.0
  Ru  Ru3  1  0.0  0.23  0.58  1.0

data_PRu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.95
_cell_length_b   4.03
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PRu
_chemical_formula_sum   'P2 Ru2'
_cell_volume   52.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.26  0.98  0.39  1.0
  Ru  Ru1  2  0.26  0.07  0.61  1.0

P P Ru Ru
P P Ru Ru 0 3 o o o 1 2 o o o 