# generated using pymatgen
data_CuIr3(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48774064
_cell_length_b   4.48774064
_cell_length_c   9.39710135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.29414115
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuIr3(RuO6)2
_chemical_formula_sum   'Cu1 Ir3 Ru2 O12'
_cell_volume   189.25339832
_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  0.16642022  1.0
  Ir  Ir1  1  0.00000000  0.00000000  0.33168625  1.0
  Ir  Ir2  1  0.00000000  0.00000000  0.66758823  1.0
  Ir  Ir3  1  0.50000000  0.50000000  0.83494644  1.0
  Ru  Ru4  1  0.00000000  0.00000000  0.00277352  1.0
  Ru  Ru5  1  0.50000000  0.50000000  0.49626112  1.0
  O  O6  1  0.29877843  0.29877843  0.99622223  1.0
  O  O7  1  0.70122157  0.70122157  0.99622223  1.0
  O  O8  1  0.80775269  0.19224731  0.16590940  1.0
  O  O9  1  0.19224731  0.80775269  0.16590940  1.0
  O  O10  1  0.30354047  0.30354047  0.33790760  1.0
  O  O11  1  0.69645953  0.69645953  0.33790760  1.0
  O  O12  1  0.80620642  0.19379358  0.49998858  1.0
  O  O13  1  0.19379358  0.80620642  0.49998858  1.0
  O  O14  1  0.30884493  0.30884493  0.66511485  1.0
  O  O15  1  0.69115507  0.69115507  0.66511485  1.0
  O  O16  1  0.80777801  0.19222199  0.83501744  1.0
  O  O17  1  0.19222199  0.80777801  0.83501744  1.0