data_SiOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   3.72
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiOs2Br
_chemical_formula_sum   'Si1 Os2 Br1'
_cell_volume   83.87
_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
  Si  Si3  1  0.0  0.0  0.21  1.0
  Os  Os1  1  0.0  0.0  0.75  1.0
  Os  Os2  1  0.37  0.86  0.92  1.0
  Br  Br0  1  0.37  0.86  0.51  1.0

data_SiOs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.72
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiOs2Br
_chemical_formula_sum   'Si1 Os2 Br1'
_cell_volume   83.87
_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
  Si  Si0  1  0.0  0.0  0.21  1.0
  Os  Os1  1  0.0  0.0  0.75  1.0
  Os  Os2  1  0.37  0.86  0.92  1.0
  Br  Br3  1  0.37  0.86  0.51  1.0

Si Os Os Br
Si Os Os Br 0 2 - - - 0 2 o - - 0 3 - - o 0 3 o - o 0 0 + o o 1 2 o - o 1 3 o - o 1 3 - - o 3 3 + o o 