data_SiOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiOsBr2
_chemical_formula_sum   'Si1 Os1 Br2'
_cell_volume   97.79
_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  0.56  1.0
  Os  Os2  1  0.58  0.58  0.57  1.0
  Br  Br0  1  0.58  0.58  1.0  1.0
  Br  Br1  1  0.0  0.0  0.28  1.0

data_SiOsBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiOsBr2
_chemical_formula_sum   'Si2 Os2 Br4'
_cell_volume   195.58
_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
  Si  Si0  2  0.0  0.0  0.56  1.0
  Os  Os1  2  0.08  0.5  0.57  1.0
  Br  Br2  2  0.0  0.0  0.28  1.0
  Br  Br3  2  0.08  0.5  1.0  1.0

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