data_FeOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOsCl2
_chemical_formula_sum   'Fe1 Os1 Cl2'
_cell_volume   67.41
_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
  Fe  Fe2  1  0.0  0.0  0.25  1.0
  Os  Os3  1  0.44  0.44  0.79  1.0
  Cl  Cl0  1  0.0  0.0  0.53  1.0
  Cl  Cl1  1  0.44  0.44  0.7  1.0

data_FeOsCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeOsCl2
_chemical_formula_sum   'Fe2 Os2 Cl4'
_cell_volume   134.82
_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
  Fe  Fe0  2  0.0  0.0  0.25  1.0
  Os  Os1  2  0.44  0.0  0.79  1.0
  Cl  Cl2  2  0.0  0.0  0.53  1.0
  Cl  Cl3  2  0.44  0.0  0.7  1.0

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