# generated using pymatgen
data_IrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06581952
_cell_length_b   7.28694771
_cell_length_c   7.22389123
_cell_angle_alpha   90.00042255
_cell_angle_beta   90.00032072
_cell_angle_gamma   90.00037837
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrO3
_chemical_formula_sum   'Ir8 O24'
_cell_volume   371.94557094
_cell_formula_units_Z   8
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
  Ir  Ir0  1  0.24996521  0.49992315  0.25001064  1.0
  Ir  Ir1  1  0.75000562  0.50006299  0.24997833  1.0
  Ir  Ir2  1  0.24999894  0.99993686  0.24997646  1.0
  Ir  Ir3  1  0.75003260  0.00007483  0.25001458  1.0
  Ir  Ir4  1  0.75003501  0.50007551  0.74998792  1.0
  Ir  Ir5  1  0.24999010  0.49993674  0.75002162  1.0
  Ir  Ir6  1  0.75000327  0.00006622  0.75002673  1.0
  Ir  Ir7  1  0.24996502  0.99992606  0.74998992  1.0
  O  O8  1  0.33169687  0.49980741  0.00000352  1.0
  O  O9  1  0.83172885  0.50019935  0.49998673  1.0
  O  O10  1  0.16828309  0.99982068  0.49999806  1.0
  O  O11  1  0.66829481  0.00020998  0.00000886  1.0
  O  O12  1  0.66828727  0.50017864  -0.00001566  1.0
  O  O13  1  0.16828215  0.49979983  0.50002002  1.0
  O  O14  1  0.83172066  0.00018127  0.50002392  1.0
  O  O15  1  0.33170165  0.99980177  -0.00002729  1.0
  O  O16  1  0.99996674  0.92709983  0.83385585  1.0
  O  O17  1  0.49996395  0.07290934  0.66625473  1.0
  O  O18  1  0.50002250  0.42710346  0.66627514  1.0
  O  O19  1  0.00004315  0.57288663  0.83384512  1.0
  O  O20  1  0.00002863  0.07290089  0.16614244  1.0
  O  O21  1  0.50004171  0.92709024  0.33375172  1.0
  O  O22  1  0.49995256  0.57290389  0.33374541  1.0
  O  O23  1  0.99997834  0.42710049  0.16613167  1.0
  O  O24  1  0.32201577  0.24992473  0.27143033  1.0
  O  O25  1  0.82210810  0.25009230  0.77146497  1.0
  O  O26  1  0.17790830  0.24991680  0.77148395  1.0
  O  O27  1  0.67797986  0.75008786  0.72857536  1.0
  O  O28  1  0.67799200  0.25009631  0.27144579  1.0
  O  O29  1  0.17791041  0.74989666  0.22852987  1.0
  O  O30  1  0.82208966  0.75008206  0.22851012  1.0
  O  O31  1  0.32200522  0.74990521  0.72855816  1.0