data_Si2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.81
_cell_length_b   12.81
_cell_length_c   12.81
_cell_angle_alpha   163.87
_cell_angle_beta   163.87
_cell_angle_gamma   22.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Os
_chemical_formula_sum   'Si8 Os4'
_cell_volume   162.18
_cell_formula_units_Z   4
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  Si4  1  0.0  0.8  0.05  1.0
  Si  Si5  1  0.0  0.8  0.5  1.0
  Si  Si6  1  0.0  0.0  0.88  1.0
  Si  Si7  1  0.0  0.0  0.23  1.0
  Si  Si8  1  0.8  0.0  0.55  1.0
  Si  Si9  1  0.8  0.0  0.0  1.0
  Si  Si10  1  0.0  0.0  0.83  1.0
  Si  Si11  1  0.0  0.0  0.28  1.0
  Os  Os0  1  0.0  0.8  0.3  1.0
  Os  Os1  1  0.0  0.8  0.26  1.0
  Os  Os2  1  0.0  0.0  0.13  1.0
  Os  Os3  1  0.0  0.0  0.98  1.0

data_Si2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   12.81
_cell_angle_alpha   98.06
_cell_angle_beta   98.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Os
_chemical_formula_sum   'Si8 Os4'
_cell_volume   162.18
_cell_formula_units_Z   4
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  0.21  0.21  1.0
  Si  Si1  1  0.23  0.23  0.23  1.0
  Si  Si2  1  0.25  0.05  0.25  1.0
  Si  Si3  1  0.28  0.28  0.28  1.0
  Si  Si4  1  0.55  0.76  0.76  1.0
  Si  Si5  1  0.71  0.5  0.71  1.0
  Si  Si6  1  0.83  0.83  0.83  1.0
  Si  Si7  1  0.88  0.88  0.88  1.0
  Os  Os8  1  0.13  0.13  0.13  1.0
  Os  Os9  1  0.46  0.26  0.46  1.0
  Os  Os10  1  0.5  0.3  0.5  1.0
  Os  Os11  1  0.98  0.98  0.98  1.0

Si Si Si Si Si Si Si Si Os Os Os Os
Si Si Si Si Si Si Si Si Os Os Os Os 0 3 o + o 0 7 o + o 1 4 - + o 2 6 o o o 2 11 o o o 3 5 - o o 3 7 o o o 3 10 o o o 4 6 + o o 5 10 + o o 8 9 o o o 