data_Sn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   106.75
_cell_angle_beta   106.75
_cell_angle_gamma   115.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Ru
_chemical_formula_sum   'Sn4 Ru2'
_cell_volume   119.35
_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
  Sn  Sn2  1  0.16  0.05  0.89  1.0
  Sn  Sn3  1  0.95  0.16  0.89  1.0
  Sn  Sn4  1  0.26  0.05  0.0  1.0
  Sn  Sn5  1  0.05  0.16  0.0  1.0
  Ru  Ru0  1  0.0  0.0  0.45  1.0
  Ru  Ru1  1  0.0  0.0  0.34  1.0

data_Sn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   106.75
_cell_angle_beta   106.75
_cell_angle_gamma   115.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Ru
_chemical_formula_sum   'Sn4 Ru2'
_cell_volume   119.35
_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
  Sn  Sn0  1  0.73  0.84  0.89  1.0
  Sn  Sn1  1  0.74  0.95  0.0  1.0
  Sn  Sn2  1  0.94  0.73  0.89  1.0
  Sn  Sn3  1  0.95  0.84  0.0  1.0
  Ru  Ru4  1  0.34  0.34  0.34  1.0
  Ru  Ru5  1  0.45  0.45  0.45  1.0

Sn Sn Sn Sn Ru Ru
Sn Sn Sn Sn Ru Ru 0 2 o o + 1 3 + o + 4 5 o o o 