# generated using pymatgen
data_Cr2IrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46047325
_cell_length_b   4.46047325
_cell_length_c   8.99971294
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2IrO6
_chemical_formula_sum   'Cr4 Ir2 O12'
_cell_volume   179.05668333
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.33422680  1.0
  Cr  Cr1  1  0.00000000  0.00000000  0.66577320  1.0
  Cr  Cr2  1  0.50000000  0.50000000  0.16577320  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.83422680  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.19811557  0.80188443  0.17117428  1.0
  O  O7  1  0.19119731  0.80880269  0.50000000  1.0
  O  O8  1  0.19811557  0.80188443  0.82882572  1.0
  O  O9  1  0.30880269  0.30880269  0.00000000  1.0
  O  O10  1  0.30188443  0.30188443  0.32882572  1.0
  O  O11  1  0.30188443  0.30188443  0.67117428  1.0
  O  O12  1  0.69119731  0.69119731  0.00000000  1.0
  O  O13  1  0.69811557  0.69811557  0.32882572  1.0
  O  O14  1  0.69811557  0.69811557  0.67117428  1.0
  O  O15  1  0.80188443  0.19811557  0.17117428  1.0
  O  O16  1  0.80880269  0.19119731  0.50000000  1.0
  O  O17  1  0.80188443  0.19811557  0.82882572  1.0