# generated using pymatgen
data_Ba3LiIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81239573
_cell_length_b   5.81241446
_cell_length_c   14.37643858
_cell_angle_alpha   90.00001906
_cell_angle_beta   90.00002855
_cell_angle_gamma   120.00016668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LiIr2O9
_chemical_formula_sum   'Ba6 Li2 Ir4 O18'
_cell_volume   420.62294993
_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  0.66666520  0.33333312  0.41461313  1
  Ba  Ba1  1  0.33333284  0.66666737  0.58535491  1
  Ba  Ba2  1  0.33333252  0.66666693  0.91457372  1
  Ba  Ba3  1  -0.00000225  -0.00000190  0.25007493  1
  Ba  Ba4  1  0.66666635  0.33333472  0.08546736  1
  Ba  Ba5  1  -0.00000324  -0.00000289  0.74994324  1
  Li  Li6  1  0.00003499  0.00001677  0.49999485  1
  Li  Li7  1  0.00003579  0.00001685  0.00000569  1
  Ir  Ir8  1  0.33333297  0.66666682  0.15421679  1
  Ir  Ir9  1  0.66666289  0.33333215  0.84579245  1
  Ir  Ir10  1  0.33333201  0.66666633  0.34583780  1
  Ir  Ir11  1  0.66666331  0.33333110  0.65414108  1
  O  O12  1  0.82696838  0.65393867  0.58421234  1
  O  O13  1  0.82692683  0.17306925  0.91571774  1
  O  O14  1  0.65388874  0.82694491  0.41575686  1
  O  O15  1  0.51543597  0.48455488  0.74996544  1
  O  O16  1  0.17305220  0.34610916  0.41575650  1
  O  O17  1  0.34605256  0.17302563  0.58421056  1
  O  O18  1  0.51543448  0.03087885  0.74996553  1
  O  O19  1  0.17304597  0.34609356  0.08429379  1
  O  O20  1  0.48458536  0.96917246  0.25004904  1
  O  O21  1  0.65390561  0.82695133  0.08429313  1
  O  O22  1  0.17305219  0.82694388  0.41575666  1
  O  O23  1  0.34613406  0.17306729  0.91571827  1
  O  O24  1  0.03082297  0.51541270  0.25004895  1
  O  O25  1  0.48458615  0.51541312  0.25004940  1
  O  O26  1  0.96911505  0.48455720  0.74996608  1
  O  O27  1  0.82692796  0.65386005  0.91571812  1
  O  O28  1  0.82696702  0.17302874  0.58421241  1
  O  O29  1  0.17304511  0.82695095  0.08429324  1
