data_SnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   152.31
_cell_angle_beta   137.12
_cell_angle_gamma   51.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnOs
_chemical_formula_sum   'Sn2 Os2'
_cell_volume   74.85
_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  0.0  0.4  0.08  1.0
  Sn  Sn3  1  0.48  0.87  0.49  1.0
  Os  Os0  1  0.48  0.13  0.69  1.0
  Os  Os1  1  0.0  0.13  0.88  1.0

data_SnOs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.96
_cell_length_b   4.53
_cell_length_c   6.2
_cell_angle_alpha   111.44
_cell_angle_beta   103.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnOs
_chemical_formula_sum   'Sn2 Os2'
_cell_volume   74.85
_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
  Sn  Sn0  2  0.47  0.97  0.23  1.0
  Os  Os1  2  0.33  0.09  0.83  1.0

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