# generated using pymatgen
data_Ba4Li(IrO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85126764
_cell_length_b   15.59607744
_cell_length_c   10.12587888
_cell_angle_alpha   71.02885003
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.18795581
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Li(IrO4)3
_chemical_formula_sum   'Ba12 Li3 Ir9 O36'
_cell_volume   856.49830036
_cell_formula_units_Z   3
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  0.12507743  0.74984515  0.12455187  1
  Ba  Ba1  1  0.62849019  0.74301962  0.62775208  1
  Ba  Ba2  1  0.37150981  0.25698038  0.37224792  1
  Ba  Ba3  1  0.87492257  0.25015485  0.87544813  1
  Ba  Ba4  1  0.71060313  0.57879375  0.04545635  1
  Ba  Ba5  1  0.20921728  0.58156544  0.54067845  1
  Ba  Ba6  1  0.79078272  0.41843456  0.45932155  1
  Ba  Ba7  1  0.28939687  0.42120625  0.95454365  1
  Ba  Ba8  1  0.95583558  0.08832884  0.63229689  1
  Ba  Ba9  1  0.45829359  0.08341283  0.11790561  1
  Ba  Ba10  1  0.54170641  0.91658717  0.88209439  1
  Ba  Ba11  1  0.04416442  0.91167116  0.36770311  1
  Li  Li12  1  0.75084797  0.49830407  0.74940788  1
  Li  Li13  1  0.24915203  0.50169593  0.25059212  1
  Li  Li14  1  0.00000000  0.00000000  0.00000000  1
  Ir  Ir15  1  0.32977267  0.34045467  0.66266411  1
  Ir  Ir16  1  0.82925378  0.34149243  0.16398295  1
  Ir  Ir17  1  0.17074622  0.65850757  0.83601705  1
  Ir  Ir18  1  0.67022733  0.65954533  0.33733589  1
  Ir  Ir19  1  0.07709156  0.84581689  0.74087532  1
  Ir  Ir20  1  0.57964798  0.84070404  0.24794771  1
  Ir  Ir21  1  0.42035202  0.15929596  0.75205229  1
  Ir  Ir22  1  0.92290844  0.15418311  0.25912468  1
  Ir  Ir23  1  0.50000000  0.00000000  0.50000000  1
  O  O24  1  0.94389253  0.58619690  0.29307738  1
  O  O25  1  0.44703172  0.58460771  0.79545616  1
  O  O26  1  0.70791087  0.58417826  0.53215818  1
  O  O27  1  0.20646982  0.58706037  0.03262776  1
  O  O28  1  0.46991057  0.58619690  0.29307738  1
  O  O29  1  0.96836056  0.58460771  0.79545616  1
  O  O30  1  0.55296828  0.41539229  0.20454384  1
  O  O31  1  0.05610747  0.41380310  0.70692262  1
  O  O32  1  0.79353018  0.41293963  0.96737224  1
  O  O33  1  0.29208913  0.41582174  0.46784182  1
  O  O34  1  0.03163944  0.41539229  0.20454384  1
  O  O35  1  0.53008943  0.41380310  0.70692262  1
  O  O36  1  0.69847480  0.08117049  0.37812929  1
  O  O37  1  0.22030598  0.08333549  0.86724412  1
  O  O38  1  0.95965393  0.08069213  0.13645621  1
  O  O39  1  0.45787632  0.08424736  0.61739178  1
  O  O40  1  0.22035471  0.08117049  0.37812929  1
  O  O41  1  0.69635853  0.08333549  0.86724412  1
  O  O42  1  0.77969402  0.91666451  0.13275588  1
  O  O43  1  0.30152520  0.91882951  0.62187071  1
  O  O44  1  0.54212368  0.91575264  0.38260822  1
  O  O45  1  0.04034607  0.91930787  0.86354379  1
  O  O46  1  0.30364147  0.91666451  0.13275588  1
  O  O47  1  0.77964529  0.91882951  0.62187071  1
  O  O48  1  0.39061427  0.74926815  0.37155766  1
  O  O49  1  0.89630543  0.75524240  0.86102413  1
  O  O50  1  0.62263421  0.75473159  0.13582182  1
  O  O51  1  0.12453789  0.75092422  0.63706721  1
  O  O52  1  0.86011758  0.74926815  0.37155766  1
  O  O53  1  0.34845217  0.75524240  0.86102413  1
  O  O54  1  0.10369457  0.24475760  0.13897587  1
  O  O55  1  0.60938573  0.25073185  0.62844234  1
  O  O56  1  0.87546211  0.24907578  0.36293279  1
  O  O57  1  0.37736579  0.24526841  0.86417818  1
  O  O58  1  0.65154783  0.24475760  0.13897587  1
  O  O59  1  0.13988242  0.25073185  0.62844234  1
