data_Sn2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   4.58
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PRu
_chemical_formula_sum   'Sn2 P1 Ru1'
_cell_volume   75.86
_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
  Sn  Sn2  1  0.72  0.29  0.0  1.0
  Sn  Sn3  1  0.72  0.0  0.4  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.29  0.4  1.0

data_Sn2PRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.58
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PRu
_chemical_formula_sum   'Sn2 P1 Ru1'
_cell_volume   75.86
_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
  Sn  Sn0  1  0.72  0.0  0.4  1.0
  Sn  Sn1  1  0.72  0.29  -0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.29  0.4  1.0

Sn Sn P Ru
Sn Sn P Ru 0 2 + o o 1 3 + o o 