# generated using pymatgen
data_CuIr(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48776502
_cell_length_b   4.48776502
_cell_length_c   9.30263152
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.24375813
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuIr(RuO3)4
_chemical_formula_sum   'Cu1 Ir1 Ru4 O12'
_cell_volume   187.35362759
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir1  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru2  1  0.50000000  0.50000000  0.83048367  1.0
  Ru  Ru3  1  0.00000000  0.00000000  0.33668818  1.0
  Ru  Ru4  1  0.50000000  0.50000000  0.16951633  1.0
  Ru  Ru5  1  0.00000000  0.00000000  0.66331182  1.0
  O  O6  1  0.70665339  0.70665339  0.67808386  1.0
  O  O7  1  0.29334661  0.29334661  0.67808386  1.0
  O  O8  1  0.70665339  0.70665339  0.32191614  1.0
  O  O9  1  0.19549390  0.80450610  0.16688224  1.0
  O  O10  1  0.80450610  0.19549390  0.16688224  1.0
  O  O11  1  0.80450610  0.19549390  0.83311776  1.0
  O  O12  1  0.30920693  0.30920693  0.00000000  1.0
  O  O13  1  0.19630326  0.80369674  0.50000000  1.0
  O  O14  1  0.80369674  0.19630326  0.50000000  1.0
  O  O15  1  0.69079307  0.69079307  0.00000000  1.0
  O  O16  1  0.29334661  0.29334661  0.32191614  1.0
  O  O17  1  0.19549390  0.80450610  0.83311776  1.0