# generated using pymatgen
data_IrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17670624
_cell_length_b   4.50531387
_cell_length_c   4.50531387
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrO2
_chemical_formula_sum   'Ir2 O4'
_cell_volume   64.48031650
_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
  Ir  Ir0  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir1  1  -0.00000000  0.00000000  0.00000000  1.0
  O  O2  1  0.00000000  0.69133670  0.69133670  1.0
  O  O3  1  0.50000000  0.80866330  0.19133670  1.0
  O  O4  1  0.00000000  0.30866330  0.30866330  1.0
  O  O5  1  0.50000000  0.19133670  0.80866330  1.0