data_Os3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Cl
_chemical_formula_sum   'Os3 Cl1'
_cell_volume   60.1
_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  Os1  1  0.4  0.4  0.02  1.0
  Os  Os2  1  0.0  0.0  0.85  1.0
  Os  Os3  1  0.4  0.4  0.67  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Os3Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Os3Cl
_chemical_formula_sum   'Os6 Cl2'
_cell_volume   120.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.85  1.0
  Os  Os1  2  0.4  0.0  0.02  1.0
  Os  Os2  2  0.4  0.0  0.67  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Os Os Os Cl
Os Os Os Cl 0 3 o o o 0 2 o o - 1 3 o o + 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 2 2 + o o 2 2 o + o 