data_Si2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BOs
_chemical_formula_sum   'Si2 B1 Os1'
_cell_volume   49.71
_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  Si2  1  0.52  0.0  0.44  1.0
  Si  Si3  1  0.52  0.0  0.46  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.45  1.0

data_Si2BOs
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.82
_cell_length_b   6.9
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   114.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Si2BOs
_chemical_formula_sum   'Si2 B1 Os1'
_cell_volume   49.71
_cell_formula_units_Z   1
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
  Si  Si0  1  0.5  0.54  0.0  1.0
  Si  Si1  1  0.5  0.56  0.0  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.55  0.0  1.0

Si Si B Os
Si Si B Os 0 1 o o o 0 2 + o o 0 2 o o o 0 3 + o o 0 3 o o o 1 2 + o o 1 2 o o o 1 3 + o o 1 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 o o o 