data_Fe(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   6.82
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   127.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(ClO2)2
_chemical_formula_sum   'Fe2 Cl4 O8'
_cell_volume   234.95
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.53  0.41  0.27  1.0
  Cl  Cl2  1  0.18  0.77  0.27  1.0
  Cl  Cl3  1  0.15  0.05  0.27  1.0
  Cl  Cl4  1  0.62  0.17  0.0  1.0
  Cl  Cl5  1  0.71  0.64  0.53  1.0
  O  O6  1  0.62  0.52  0.25  1.0
  O  O7  1  0.7  0.29  0.28  1.0
  O  O8  1  0.23  0.93  0.55  1.0
  O  O9  1  0.1  0.89  0.99  1.0
  O  O10  1  0.15  0.71  0.26  1.0
  O  O11  1  0.17  0.11  0.28  1.0
  O  O12  1  0.65  0.3  0.01  1.0
  O  O13  1  0.68  0.51  0.53  1.0

data_Fe(ClO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   6.54
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(ClO2)2
_chemical_formula_sum   'Fe2 Cl4 O8'
_cell_volume   234.95
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.74  0.27  0.41  1.0
  Cl  Cl2  1  0.09  0.27  0.77  1.0
  Cl  Cl3  1  0.12  0.27  0.05  1.0
  Cl  Cl4  1  0.38  0.0  0.17  1.0
  Cl  Cl5  1  0.83  0.53  0.64  1.0
  O  O6  1  0.1  0.26  0.71  1.0
  O  O7  1  0.1  0.28  0.11  1.0
  O  O8  1  0.32  0.55  0.93  1.0
  O  O9  1  0.36  0.01  0.3  1.0
  O  O10  1  0.58  0.28  0.29  1.0
  O  O11  1  0.63  0.25  0.52  1.0
  O  O12  1  0.84  0.53  0.51  1.0
  O  O13  1  0.89  0.99  0.89  1.0

Fe Fe Cl Cl Cl Cl O O O O O O O O