data_OsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   9.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsCl2
_chemical_formula_sum   'Os4 Cl8'
_cell_volume   287.98
_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
  Os  Os8  1  0.92  0.69  0.08  1.0
  Os  Os9  1  0.0  0.37  0.96  1.0
  Os  Os10  1  0.0  0.37  0.68  1.0
  Os  Os11  1  0.92  0.69  0.8  1.0
  Cl  Cl0  1  0.0  0.0  0.88  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.41  0.18  0.32  1.0
  Cl  Cl3  1  0.51  0.87  0.44  1.0
  Cl  Cl4  1  0.59  0.18  0.32  1.0
  Cl  Cl5  1  0.0  0.74  0.32  1.0
  Cl  Cl6  1  0.92  0.31  0.44  1.0
  Cl  Cl7  1  0.33  0.87  0.44  1.0

data_OsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   9.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsCl2
_chemical_formula_sum   'Os4 Cl8'
_cell_volume   287.98
_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
  Os  Os0  1  0.0  0.37  0.68  1.0
  Os  Os1  1  0.0  0.37  0.96  1.0
  Os  Os2  1  0.92  0.69  0.08  1.0
  Os  Os3  1  0.92  0.69  0.8  1.0
  Cl  Cl4  1  0.0  0.0  0.0  1.0
  Cl  Cl5  1  0.0  0.0  0.88  1.0
  Cl  Cl6  1  0.0  0.74  0.32  1.0
  Cl  Cl7  1  0.33  0.87  0.44  1.0
  Cl  Cl8  1  0.41  0.18  0.32  1.0
  Cl  Cl9  1  0.51  0.87  0.44  1.0
  Cl  Cl10  1  0.59  0.18  0.32  1.0
  Cl  Cl11  1  0.92  0.31  0.44  1.0

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