# generated using pymatgen
data_IrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15407854
_cell_length_b   5.15407854
_cell_length_c   3.72409151
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.34519069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrO3
_chemical_formula_sum   'Ir2 O6'
_cell_volume   98.92692878
_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  0.49693601  0.00916559  0.50000000  1.0
  Ir  Ir1  1  0.99083441  0.50306399  0.50000000  1.0
  O  O2  1  0.17515626  0.82484374  0.50000000  1.0
  O  O3  1  0.66417258  0.66614453  0.50000000  1.0
  O  O4  1  0.33385547  0.33582742  0.50000000  1.0
  O  O5  1  0.84326058  0.15673942  0.50000000  1.0
  O  O6  1  0.50093700  0.00623130  -0.00000000  1.0
  O  O7  1  0.99376870  0.49906300  0.00000000  1.0