# generated using pymatgen
data_LiNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67802006
_cell_length_b   5.69027270
_cell_length_c   74.13907331
_cell_angle_alpha   54.70414115
_cell_angle_beta   54.77100111
_cell_angle_gamma   54.68420879
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbO3
_chemical_formula_sum   'Li26 Nb26 O78'
_cell_volume   1485.47115392
_cell_formula_units_Z   26
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  0.19855451  0.23044154  0.09673227  1
  Li  Li1  1  0.67025722  0.65512798  0.05431025  1
  Li  Li2  1  0.81138787  0.83667386  0.06453266  1
  Li  Li3  1  0.78639853  0.76981360  0.14180386  1
  Li  Li4  1  0.79611898  0.79696165  0.21606739  1
  Li  Li5  1  0.79682581  0.79291285  0.29178496  1
  Li  Li6  1  0.79316652  0.79659413  0.36896506  1
  Li  Li7  1  0.80198084  0.80747683  0.44449535  1
  Li  Li8  1  0.29982168  0.31378169  0.55725202  1
  Li  Li9  1  0.81004031  0.79921081  0.51996107  1
  Li  Li10  1  0.27429269  0.29407419  0.63605327  1
  Li  Li11  1  0.80794739  0.79418096  0.59658082  1
  Li  Li12  1  0.27761008  0.28394632  0.71391979  1
  Li  Li13  1  0.67080470  0.68330020  0.66734108  1
  Li  Li14  1  0.83753967  0.82905010  0.67846883  1
  Li  Li15  1  0.27989852  0.28259422  0.79099579  1
  Li  Li16  1  0.67876138  0.67806129  0.74448031  1
  Li  Li17  1  0.83263476  0.83056615  0.75574720  1
  Li  Li18  1  0.27759045  0.28210553  0.86837271  1
  Li  Li19  1  0.67694765  0.67678784  0.82172300  1
  Li  Li20  1  0.82888015  0.83009822  0.83303697  1
  Li  Li21  1  0.27733692  0.28163993  0.94550471  1
  Li  Li22  1  0.68047189  0.67332199  0.89850702  1
  Li  Li23  1  0.82673206  0.83169627  0.91008138  1
  Li  Li24  1  0.68223280  0.67078463  0.97559078  1
  Li  Li25  1  0.82436383  0.83445131  0.98702550  1
  Nb  Nb26  1  0.00861757  0.98177387  0.00402422  1
  Nb  Nb27  1  0.00754085  0.97730847  0.08109381  1
  Nb  Nb28  1  0.45846612  0.51019731  0.04048291  1
  Nb  Nb29  1  0.00296977  0.97435431  0.15861141  1
  Nb  Nb30  1  0.46507802  0.49823934  0.12039288  1
  Nb  Nb31  1  0.01897245  0.01499192  0.23224426  1
  Nb  Nb32  1  0.49093498  0.51437006  0.19514994  1
  Nb  Nb33  1  0.01947002  0.02211039  0.30918466  1
  Nb  Nb34  1  0.52118097  0.50392217  0.26946172  1
  Nb  Nb35  1  0.01365382  0.01695549  0.38633885  1
  Nb  Nb36  1  0.49706290  0.51039564  0.34748017  1
  Nb  Nb37  1  0.00243779  0.04282559  0.45969848  1
  Nb  Nb38  1  0.52024293  0.52161961  0.42265503  1
  Nb  Nb39  1  0.01067427  0.04563428  0.53404272  1
  Nb  Nb40  1  0.53865950  0.51033285  0.49603021  1
  Nb  Nb41  1  0.99872360  0.04011233  0.61211609  1
  Nb  Nb42  1  0.54355694  0.50060955  0.57358446  1
  Nb  Nb43  1  0.00737165  0.03120190  0.69195814  1
  Nb  Nb44  1  0.52255374  0.49064964  0.65138460  1
  Nb  Nb45  1  0.01110932  0.01315348  0.77007894  1
  Nb  Nb46  1  0.50832366  0.49901527  0.73011678  1
  Nb  Nb47  1  0.00953447  0.01028549  0.84705938  1
  Nb  Nb48  1  0.50033423  0.50052487  0.80763127  1
  Nb  Nb49  1  0.01656225  0.99922145  0.92468603  1
  Nb  Nb50  1  0.49718905  0.49910639  0.88477491  1
  Nb  Nb51  1  0.48042952  0.49857340  0.96336267  1
  O  O52  1  0.09855893  0.41741236  0.05629529  1
  O  O53  1  0.41587433  0.75119671  0.00651069  1
  O  O54  1  0.76846409  0.10395717  0.02991975  1
  O  O55  1  0.26197840  0.85580319  0.04820109  1
  O  O56  1  0.64222747  0.25838556  0.06452841  1
  O  O57  1  0.12825249  0.38559073  0.13338764  1
  O  O58  1  0.86676217  0.66844359  0.01742291  1
  O  O59  1  0.40700513  0.77704940  0.08253550  1
  O  O60  1  0.77910437  0.13496591  0.10461596  1
  O  O61  1  0.25129672  0.88000533  0.12386842  1
  O  O62  1  0.65157446  0.25372818  0.14183735  1
  O  O63  1  0.12525910  0.38332155  0.21134035  1
  O  O64  1  0.88748253  0.64745505  0.09376392  1
  O  O65  1  0.38210005  0.74778477  0.16283601  1
  O  O66  1  0.76001661  0.11604808  0.18303713  1
  O  O67  1  0.23811054  0.85023961  0.20471389  1
  O  O68  1  0.66194242  0.24963939  0.21825736  1
  O  O69  1  0.12324135  0.38232521  0.28817960  1
  O  O70  1  0.85796972  0.66002282  0.17035566  1
  O  O71  1  0.37970279  0.74922646  0.24009984  1
  O  O72  1  0.75420972  0.12350187  0.25984702  1
  O  O73  1  0.23385398  0.82622706  0.28326568  1
  O  O74  1  0.66992761  0.23841080  0.29494790  1
  O  O75  1  0.12115011  0.38037314  0.36557788  1
  O  O76  1  0.83215169  0.67696307  0.24897472  1
  O  O77  1  0.38400564  0.74637511  0.31704118  1
  O  O78  1  0.75239496  0.12130333  0.33702492  1
  O  O79  1  0.24205591  0.83365856  0.35942651  1
  O  O80  1  0.67875932  0.24298534  0.37110830  1
  O  O81  1  0.11591362  0.38464327  0.44256465  1
  O  O82  1  0.82940828  0.68312442  0.32543824  1
  O  O83  1  0.37822288  0.75048357  0.39460468  1
  O  O84  1  0.75126226  0.12770198  0.41393916  1
  O  O85  1  0.24482572  0.83697499  0.43659652  1
  O  O86  1  0.65858050  0.23304690  0.45014375  1
  O  O87  1  0.11747961  0.38290161  0.52021732  1
  O  O88  1  0.84345998  0.66663547  0.40306503  1
  O  O89  1  0.38451684  0.75362390  0.47145891  1
  O  O90  1  0.75820740  0.12204524  0.49088559  1
  O  O91  1  0.24234286  0.84634499  0.51304711  1
  O  O92  1  0.63346025  0.22658724  0.52981218  1
  O  O93  1  0.10816915  0.37563188  0.59846473  1
  O  O94  1  0.85176222  0.64472959  0.48171158  1
  O  O95  1  0.37219565  0.74076371  0.55023185  1
  O  O96  1  0.72934594  0.12693578  0.56886588  1
  O  O97  1  0.23261090  0.87481456  0.58868594  1
  O  O98  1  0.61683448  0.23028916  0.60809285  1
  O  O99  1  0.09223486  0.40311074  0.67471615  1
  O  O100  1  0.87763061  0.61159058  0.55962821  1
  O  O101  1  0.37096016  0.72567157  0.62691351  1
  O  O102  1  0.72622959  0.09713984  0.64850095  1
  O  O103  1  0.24482214  0.86434389  0.66651609  1
  O  O104  1  0.63591084  0.24186852  0.68400263  1
  O  O105  1  0.10491605  0.39771323  0.75004130  1
  O  O106  1  0.86025647  0.61320800  0.63712141  1
  O  O107  1  0.39338828  0.73651869  0.70168203  1
  O  O108  1  0.74377376  0.09487538  0.72399520  1
  O  O109  1  0.25110738  0.86036990  0.74206934  1
  O  O110  1  0.63788517  0.25090813  0.75923373  1
  O  O111  1  0.11305888  0.39495600  0.82658727  1
  O  O112  1  0.86301932  0.62710469  0.71270961  1
  O  O113  1  0.39768975  0.74210764  0.77780905  1
  O  O114  1  0.74855032  0.10373703  0.79998033  1
  O  O115  1  0.25251031  0.86513751  0.81872795  1
  O  O116  1  0.64218215  0.25410193  0.83578114  1
  O  O117  1  0.10855912  0.39897575  0.90286574  1
  O  O118  1  0.86636258  0.63999833  0.78884308  1
  O  O119  1  0.40612795  0.74082303  0.85438179  1
  O  O120  1  0.74904221  0.11001313  0.87665803  1
  O  O121  1  0.25323009  0.86873713  0.89517633  1
  O  O122  1  0.64168454  0.25667460  0.91232715  1
  O  O123  1  0.11132750  0.40508458  0.97902771  1
  O  O124  1  0.86566941  0.64218373  0.86558838  1
  O  O125  1  0.41107433  0.74418544  0.93048034  1
  O  O126  1  0.75085351  0.10909106  0.95279339  1
  O  O127  1  0.26524583  0.86572743  0.97064577  1
  O  O128  1  0.66888882  0.25911112  0.98631010  1
  O  O129  1  0.87772935  0.64831462  0.94117790  1
