# generated using pymatgen
data_Fe(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34477522
_cell_length_b   6.34477522
_cell_length_c   6.20723207
_cell_angle_alpha   75.82007968
_cell_angle_beta   75.82007968
_cell_angle_gamma   48.54576606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(ClO2)3
_chemical_formula_sum   'Fe1 Cl3 O6'
_cell_volume   180.39213389
_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  Fe0  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl1  1  0.12203400  0.12203400  0.64487900  1.0
  Cl  Cl2  1  0.87796600  0.87796600  0.35512100  1.0
  Cl  Cl3  1  0.50000000  0.50000000  0.50000000  1.0
  O  O4  1  0.60005200  0.16987900  0.90015700  1.0
  O  O5  1  0.16987900  0.60005200  0.90015700  1.0
  O  O6  1  0.39994800  0.83012100  0.09984300  1.0
  O  O7  1  0.83012100  0.39994800  0.09984300  1.0
  O  O8  1  0.61069700  0.61069700  0.98077500  1.0
  O  O9  1  0.38930300  0.38930300  0.01922500  1.0