# generated using pymatgen
data_Li2IrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12861243
_cell_length_b   5.12935419
_cell_length_c   24.19782715
_cell_angle_alpha   87.87781634
_cell_angle_beta   87.89439363
_cell_angle_gamma   121.69728279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2IrO3
_chemical_formula_sum   'Li20 Ir10 O30'
_cell_volume   540.05265573
_cell_formula_units_Z   10
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
  Li  Li0  1  0.66573509  0.33396161  0.99997380  1
  Li  Li1  1  0.63101163  0.96799956  0.09980029  1
  Li  Li2  1  0.31329132  0.30811750  0.10029879  1
  Li  Li3  1  0.95092470  0.62356958  0.09963057  1
  Li  Li4  1  0.60088224  0.60108305  0.19987683  1
  Li  Li5  1  0.23959534  0.55773965  0.30007277  1
  Li  Li6  1  0.89883359  0.89677729  0.30016065  1
  Li  Li7  1  0.55806931  0.23919705  0.30005050  1
  Li  Li8  1  0.19978054  0.19950152  0.40011443  1
  Li  Li9  1  0.84100682  0.15892449  0.50003089  1
  Li  Li10  1  0.50001963  0.50003108  0.50001849  1
  Li  Li11  1  0.15902604  0.84101210  0.50003736  1
  Li  Li12  1  0.80066815  0.80032664  0.59992667  1
  Li  Li13  1  0.44217534  0.76034083  0.69992682  1
  Li  Li14  1  0.10325441  0.10121824  0.69985446  1
  Li  Li15  1  0.76093471  0.44188991  0.69997298  1
  Li  Li16  1  0.39884828  0.39908473  0.80010431  1
  Li  Li17  1  0.03206512  0.36912452  0.90019316  1
  Li  Li18  1  0.69213107  0.68676944  0.89968916  1
  Li  Li19  1  0.37620216  0.04912684  0.90029571  1
  Ir  Ir20  1  0.33589509  0.66415859  -0.00000515  1
  Ir  Ir21  1  0.99667783  0.00306434  -0.00001661  1
  Ir  Ir22  1  0.26859260  0.92894348  0.20030145  1
  Ir  Ir23  1  0.93056716  0.26954749  0.20015102  1
  Ir  Ir24  1  0.86983481  0.52992329  0.40006107  1
  Ir  Ir25  1  0.53019741  0.86961405  0.40004141  1
  Ir  Ir26  1  0.13032325  0.46978202  0.59996801  1
  Ir  Ir27  1  0.47019147  0.13022735  0.59995340  1
  Ir  Ir28  1  0.07123045  0.73145355  0.79969977  1
  Ir  Ir29  1  0.73037855  0.06932029  0.79983059  1
  O  O30  1  0.65133740  0.65562844  0.04904403  1
  O  O31  1  0.98849158  0.31808820  0.04874918  1
  O  O32  1  0.30489013  0.97204347  0.04569698  1
  O  O33  1  0.27729670  0.61555069  0.15122426  1
  O  O34  1  0.61434548  0.27661899  0.15119440  1
  O  O35  1  0.96228211  0.96185030  0.15445516  1
  O  O36  1  0.23987589  0.23963317  0.24608212  1
  O  O37  1  0.92052621  0.58342469  0.24900983  1
  O  O38  1  0.58493558  0.92098004  0.24880321  1
  O  O39  1  0.87841585  0.21540319  0.35132525  1
  O  O40  1  0.21559644  0.87816765  0.35127629  1
  O  O41  1  0.56005570  0.55984218  0.35423743  1
  O  O42  1  0.83973489  0.83953608  0.44589692  1
  O  O43  1  0.52169581  0.18428568  0.44880360  1
  O  O44  1  0.18463782  0.52146820  0.44880177  1
  O  O45  1  0.47838900  0.81538581  0.55121936  1
  O  O46  1  0.81568927  0.47830514  0.55118922  1
  O  O47  1  0.16039430  0.16024484  0.55413717  1
  O  O48  1  0.44024530  0.43999083  0.64573897  1
  O  O49  1  0.78474861  0.12156926  0.64873367  1
  O  O50  1  0.12192219  0.78445539  0.64874867  1
  O  O51  1  0.07917318  0.41502437  0.75120325  1
  O  O52  1  0.41644033  0.07954426  0.75096669  1
  O  O53  1  0.76026420  0.76000182  0.75395662  1
  O  O54  1  0.03824416  0.03777572  0.84550499  1
  O  O55  1  0.72356153  0.38557963  0.84876173  1
  O  O56  1  0.38451172  0.72264829  0.84877406  1
  O  O57  1  0.68181515  0.01141297  0.95120701  1
  O  O58  1  0.02798460  0.69509398  0.95427677  1
  O  O59  1  0.34415781  0.34861364  0.95096780  1
