# generated using pymatgen
data_Ir(RuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48756797
_cell_length_b   4.48756797
_cell_length_c   9.40473098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir(RuO3)2
_chemical_formula_sum   'Ir2 Ru4 O12'
_cell_volume   189.39497643
_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  0.00000000  1.0
  Ir  Ir1  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru2  1  0.50000000  0.50000000  0.33373053  1.0
  Ru  Ru3  1  0.50000000  0.50000000  0.66626947  1.0
  Ru  Ru4  1  0.00000000  0.00000000  0.16626947  1.0
  Ru  Ru5  1  0.00000000  0.00000000  0.83373053  1.0
  O  O6  1  0.69456823  0.69456823  0.16774107  1.0
  O  O7  1  0.69456823  0.69456823  0.83225893  1.0
  O  O8  1  0.69183093  0.69183093  0.50000000  1.0
  O  O9  1  0.80816907  0.19183093  0.00000000  1.0
  O  O10  1  0.80543177  0.19456823  0.33225893  1.0
  O  O11  1  0.80543177  0.19456823  0.66774107  1.0
  O  O12  1  0.19456823  0.80543177  0.33225893  1.0
  O  O13  1  0.19456823  0.80543177  0.66774107  1.0
  O  O14  1  0.19183093  0.80816907  0.00000000  1.0
  O  O15  1  0.30816907  0.30816907  0.50000000  1.0
  O  O16  1  0.30543177  0.30543177  0.16774107  1.0
  O  O17  1  0.30543177  0.30543177  0.83225893  1.0