# generated using pymatgen
data_BaIrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83274888
_cell_length_b   5.83274888
_cell_length_c   14.97434683
_cell_angle_alpha   78.40800857
_cell_angle_beta   78.40800857
_cell_angle_gamma   59.54336278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIrO3
_chemical_formula_sum   'Ba6 Ir6 O18'
_cell_volume   427.21633937
_cell_formula_units_Z   6
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  0.23024061  0.23024061  0.24907709  1.0
  Ba  Ba1  1  0.76975939  0.76975939  0.75092291  1.0
  Ba  Ba2  1  0.63393634  0.63393634  0.07416214  1.0
  Ba  Ba3  1  0.36606366  0.36606366  0.92583786  1.0
  Ba  Ba4  1  0.85278045  0.85278045  0.42348420  1.0
  Ba  Ba5  1  0.14721955  0.14721955  0.57651580  1.0
  Ir  Ir6  1  0.92330860  0.92330860  0.17448622  1.0
  Ir  Ir7  1  0.07669140  0.07669140  0.82551378  1.0
  Ir  Ir8  1  -0.00000000  0.00000000  -0.00000000  1.0
  Ir  Ir9  1  0.53820247  0.53820247  0.32570752  1.0
  Ir  Ir10  1  0.46179753  0.46179753  0.67429248  1.0
  Ir  Ir11  1  0.50000000  0.50000000  0.50000000  1.0
  O  O12  1  0.71674656  0.71674656  0.23066372  1.0
  O  O13  1  0.28325344  0.28325344  0.76933628  1.0
  O  O14  1  0.70613505  0.20420221  0.26120059  1.0
  O  O15  1  0.79579779  0.29386495  0.73879941  1.0
  O  O16  1  0.29386495  0.79579779  0.73879941  1.0
  O  O17  1  0.20420221  0.70613505  0.26120059  1.0
  O  O18  1  0.11548480  0.11548480  0.09551532  1.0
  O  O19  1  0.88451520  0.88451520  0.90448468  1.0
  O  O20  1  0.64638777  0.12664345  0.08392461  1.0
  O  O21  1  0.87335655  0.35361223  0.91607539  1.0
  O  O22  1  0.35361223  0.87335655  0.91607539  1.0
  O  O23  1  0.12664345  0.64638777  0.08392461  1.0
  O  O24  1  0.37022670  0.83544725  0.40679417  1.0
  O  O25  1  0.16455275  0.62977330  0.59320583  1.0
  O  O26  1  0.62977330  0.16455275  0.59320583  1.0
  O  O27  1  0.83544725  0.37022670  0.40679417  1.0
  O  O28  1  0.35821329  0.35821329  0.42298494  1.0
  O  O29  1  0.64178671  0.64178671  0.57701506  1.0