data_Os3Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   80.93
_cell_angle_beta   80.93
_cell_angle_gamma   80.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Cl2
_chemical_formula_sum   'Os6 Cl4'
_cell_volume   153.37
_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
  Os  Os4  1  0.93  0.97  0.48  1.0
  Os  Os5  1  0.29  0.82  0.48  1.0
  Os  Os6  1  0.78  0.21  0.48  1.0
  Os  Os7  1  0.22  0.79  0.27  1.0
  Os  Os8  1  0.71  0.18  0.27  1.0
  Os  Os9  1  0.07  0.03  0.27  1.0
  Cl  Cl0  1  0.0  0.0  0.97  1.0
  Cl  Cl1  1  0.0  0.0  0.41  1.0
  Cl  Cl2  1  0.0  0.0  0.35  1.0
  Cl  Cl3  1  0.0  0.0  0.79  1.0

data_Os3Cl2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   80.93
_cell_angle_beta   80.93
_cell_angle_gamma   80.93
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Os3Cl2
_chemical_formula_sum   'Os6 Cl4'
_cell_volume   153.37
_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
  Os  Os0  2  0.03  0.07  0.4  1.0
  Os  Os1  2  0.18  0.71  0.4  1.0
  Os  Os2  2  0.21  0.78  0.6  1.0
  Cl  Cl3  2  0.0  0.0  0.09  1.0
  Cl  Cl4  2  0.0  0.0  0.47  1.0

Os Os Os Os Os Os Cl Cl Cl Cl
Os Os Os Os Os Os Cl Cl Cl Cl 0 7 + + o 0 2 o + o 1 3 o o o 2 4 o o o 2 7 + o o 3 8 o + o 3 5 o + o 5 8 o o o 6 9 o o o 7 8 o o o 