# generated using pymatgen
data_Ba2(IrO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22038261
_cell_length_b   8.22042569
_cell_length_c   8.22041846
_cell_angle_alpha   109.46866139
_cell_angle_beta   109.46877419
_cell_angle_gamma   109.47608903
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2(IrO3)3
_chemical_formula_sum   'Ba4 Ir6 O18'
_cell_volume   427.62108283
_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
  Ba  Ba0  1  -0.00000464  -0.00005826  0.37793287  1.0
  Ba  Ba1  1  0.00001042  0.37797464  0.00005950  1.0
  Ba  Ba2  1  0.62202850  0.62206698  0.62203360  1.0
  Ba  Ba3  1  0.37791944  -0.00001397  -0.00003768  1.0
  Ir  Ir4  1  0.34353512  0.50001123  0.84353318  1.0
  Ir  Ir5  1  0.84354592  0.34356663  0.49998302  1.0
  Ir  Ir6  1  0.49997231  0.15640985  0.65644198  1.0
  Ir  Ir7  1  0.15646494  0.65648019  0.49998071  1.0
  Ir  Ir8  1  0.49996927  0.84351747  0.34355616  1.0
  Ir  Ir9  1  0.65649907  0.50001446  0.15650594  1.0
  O  O10  1  0.35846126  -0.00005700  0.35850270  1.0
  O  O11  1  0.35857065  0.35854844  0.00005063  1.0
  O  O12  1  0.00004352  0.64151488  0.64141161  1.0
  O  O13  1  0.64154672  0.64151229  0.00004296  1.0
  O  O14  1  0.00005335  0.35862179  0.35852280  1.0
  O  O15  1  0.64146356  -0.00005968  0.64150076  1.0
  O  O16  1  0.35917052  0.31000083  0.63813075  1.0
  O  O17  1  0.04917568  0.32814327  0.68996272  1.0
  O  O18  1  0.72103565  0.36185655  0.67186544  1.0
  O  O19  1  0.36181292  0.67186125  0.72099234  1.0
  O  O20  1  0.27893453  0.95075563  0.64077580  1.0
  O  O21  1  0.63818582  0.35922962  0.31002345  1.0
  O  O22  1  0.30997042  0.63816320  0.35920949  1.0
  O  O23  1  0.68997181  0.04914616  0.32811227  1.0
  O  O24  1  0.95084661  0.64081765  0.27901093  1.0
  O  O25  1  0.67186322  0.72101774  0.36186307  1.0
  O  O26  1  0.64082989  0.27897131  0.95085838  1.0
  O  O27  1  0.32812152  0.68998484  0.04917363  1.0