# generated using pymatgen
data_IrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90361452
_cell_length_b   4.90167494
_cell_length_c   4.90483427
_cell_angle_alpha   90.01746595
_cell_angle_beta   90.01909361
_cell_angle_gamma   89.98506713
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrO2
_chemical_formula_sum   'Ir4 O8'
_cell_volume   117.89220981
_cell_formula_units_Z   4
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  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir1  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir2  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir3  1  0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.15019635  0.84994823  0.34984421  1.0
  O  O5  1  0.84976298  0.34994789  0.15027260  1.0
  O  O6  1  0.34976937  0.14994498  0.84976184  1.0
  O  O7  1  0.65012250  0.64999671  0.65025894  1.0
  O  O8  1  0.84980365  0.15005177  0.65015579  1.0
  O  O9  1  0.15023702  0.65005211  0.84972740  1.0
  O  O10  1  0.65023063  0.85005502  0.15023816  1.0
  O  O11  1  0.34987750  0.35000329  0.34974106  1.0