# generated using pymatgen
data_IrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62305449
_cell_length_b   5.62305449
_cell_length_c   5.62305449
_cell_angle_alpha   139.14380381
_cell_angle_beta   139.14380381
_cell_angle_gamma   59.15564800
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrO2
_chemical_formula_sum   'Ir2 O4'
_cell_volume   75.34752541
_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  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir1  1  0.75000000  0.25000000  0.50000000  1.0
  O  O2  1  0.95960400  0.45960400  0.50000000  1.0
  O  O3  1  0.20960400  0.20960400  0.00000000  1.0
  O  O4  1  0.54039600  0.04039600  0.50000000  1.0
  O  O5  1  0.79039600  0.79039600  0.00000000  1.0