# generated using pymatgen
data_Ba2Cu(IrO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84667500
_cell_length_b   7.08727496
_cell_length_c   7.55872428
_cell_angle_alpha   92.65202830
_cell_angle_beta   95.17080499
_cell_angle_gamma   115.08831471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cu(IrO3)6
_chemical_formula_sum   'Ba2 Cu1 Ir6 O18'
_cell_volume   329.37141498
_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
  Ba  Ba0  1  0.31242426  0.67919659  0.63011338  1.0
  Ba  Ba1  1  0.68255559  0.31195365  0.37337404  1.0
  Cu  Cu2  1  0.39345981  0.27499889  0.88379286  1.0
  Ir  Ir3  1  0.80389595  0.12569552  0.81624522  1.0
  Ir  Ir4  1  0.19177323  0.87799652  0.18041483  1.0
  Ir  Ir5  1  0.60699526  0.72079999  0.11866606  1.0
  Ir  Ir6  1  0.99666609  0.99668036  0.50079248  1.0
  Ir  Ir7  1  0.81730806  0.61602697  0.80559986  1.0
  Ir  Ir8  1  0.18015280  0.38085591  0.19558392  1.0
  O  O9  1  0.91963822  0.72205917  0.57855084  1.0
  O  O10  1  0.28627140  0.17087762  0.11278716  1.0
  O  O11  1  0.32479303  0.51756164  0.98701197  1.0
  O  O12  1  0.47297683  0.55648239  0.31565446  1.0
  O  O13  1  0.48818336  0.91847815  0.15988649  1.0
  O  O14  1  0.90388313  0.39997526  0.72598908  1.0
  O  O15  1  0.71917836  0.83246588  0.88773081  1.0
  O  O16  1  0.90633223  0.22981525  0.05814301  1.0
  O  O17  1  0.69795823  0.50486126  0.03047692  1.0
  O  O18  1  0.07658854  0.27179682  0.42143894  1.0
  O  O19  1  0.08249419  0.12774486  0.74924307  1.0
  O  O20  1  0.72346663  0.99500720  0.56729377  1.0
  O  O21  1  0.09724213  0.60089500  0.27147127  1.0
  O  O22  1  0.90396326  0.87375371  0.24825365  1.0
  O  O23  1  0.09436880  0.77286655  0.93597915  1.0
  O  O24  1  0.51608433  0.08201275  0.82097935  1.0
  O  O25  1  0.27038275  0.99832090  0.43034965  1.0
  O  O26  1  0.53096452  0.44082419  0.69417778  1.0