data_OsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14
_cell_length_b   7.77
_cell_length_c   3.22
_cell_angle_alpha   84.97
_cell_angle_beta   71.84
_cell_angle_gamma   23.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsCl2
_chemical_formula_sum   'Os1 Cl2'
_cell_volume   64.54
_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
  Os  Os2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.48  0.86  0.77  1.0
  Cl  Cl1  1  0.48  0.86  0.48  1.0

data_OsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.22
_cell_length_c   7.77
_cell_angle_alpha   84.97
_cell_angle_beta   79.01
_cell_angle_gamma   62.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsCl2
_chemical_formula_sum   'Os1 Cl2'
_cell_volume   64.54
_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
  Os  Os0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.14  0.04  0.34  1.0
  Cl  Cl2  1  0.14  0.75  0.34  1.0

Os Cl Cl
Os Cl Cl 0 0 + - o 0 0 + - - 0 0 o o + 0 2 o - - 0 2 - o o 0 1 o - - 0 1 - o - 1 2 o o o 