data_SnOs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnOs2Ru
_chemical_formula_sum   'Sn1 Os2 Ru1'
_cell_volume   62.64
_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  Sn3  1  0.0  0.0  0.76  1.0
  Os  Os0  1  0.44  0.44  0.75  1.0
  Os  Os1  1  0.44  0.44  0.77  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_SnOs2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnOs2Ru
_chemical_formula_sum   'Sn2 Os4 Ru2'
_cell_volume   125.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.76  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.44  0.0  0.75  1.0
  Os  Os3  2  0.44  0.0  0.77  1.0

Sn Os Os Ru
Sn Os Os Ru 0 1 - o o 0 1 o - o 0 1 o o o 0 2 - o o 0 2 o - o 0 2 o o o 0 3 o o + 1 2 o o o 