# generated using pymatgen
data_LiMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66131541
_cell_length_b   13.12435198
_cell_length_c   13.17250947
_cell_angle_alpha   83.80148183
_cell_angle_beta   70.82430690
_cell_angle_gamma   70.77224990
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2O4
_chemical_formula_sum   'Li18 Mn36 O72'
_cell_volume   1335.39967433
_cell_formula_units_Z   18
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  0.79013891  0.74986736  0.42017533  1
  Li  Li1  1  0.46011162  0.74967083  0.08056127  1
  Li  Li2  1  0.20649166  0.91723775  0.91355024  1
  Li  Li3  1  0.79502474  0.08222744  0.08627149  1
  Li  Li4  1  0.87780053  0.91706508  0.58633493  1
  Li  Li5  1  0.20673371  0.58743116  0.24996752  1
  Li  Li6  1  0.45671559  0.08700137  0.75013862  1
  Li  Li7  1  0.87541045  0.24992711  0.25055229  1
  Li  Li8  1  0.54080374  0.24998039  0.91923275  1
  Li  Li9  1  0.79442296  0.41224575  0.75036533  1
  Li  Li10  1  0.54476629  0.91226511  0.24982828  1
  Li  Li11  1  0.11923397  0.41686796  0.08651311  1
  Li  Li12  1  0.46403981  0.41658328  0.41421535  1
  Li  Li13  1  0.21021522  0.24951158  0.58039773  1
  Li  Li14  1  0.88227419  0.58247197  0.91324044  1
  Li  Li15  1  0.53696513  0.58285855  0.58621779  1
  Li  Li16  1  0.12527107  0.74952157  0.74971145  1
  Li  Li17  1  0.12312066  0.08236582  0.41434964  1
  Mn  Mn18  1  0.83226535  0.33334628  0.49537258  1
  Mn  Mn19  1  0.99670335  0.16828303  0.83529410  1
  Mn  Mn20  1  0.16505004  0.83128200  0.33524423  1
  Mn  Mn21  1  0.67048980  0.50286661  0.16522474  1
  Mn  Mn22  1  0.16035826  0.16643246  0.00543687  1
  Mn  Mn23  1  0.16581929  0.99665525  0.16523233  1
  Mn  Mn24  1  0.50089818  0.66859411  0.33545058  1
  Mn  Mn25  1  0.16884459  0.66647322  0.50546437  1
  Mn  Mn26  1  0.50579640  0.16592255  0.33058737  1
  Mn  Mn27  1  0.16961594  0.33085677  0.83467148  1
  Mn  Mn28  1  0.00442677  0.83105364  0.16482512  1
  Mn  Mn29  1  0.84178560  0.83281247  0.99399806  1
  Mn  Mn30  1  0.67374570  0.16598266  0.49531360  1
  Mn  Mn31  1  0.33116017  0.49674660  0.83449755  1
  Mn  Mn32  1  0.50333890  0.33301321  0.16964498  1
  Mn  Mn33  1  0.83596156  0.33323372  0.00573113  1
  Mn  Mn34  1  0.32653691  0.83313828  0.50554354  1
  Mn  Mn35  1  0.00024475  0.50005030  0.49991278  1
  Mn  Mn36  1  0.82711641  0.50300042  0.33589178  1
  Mn  Mn37  1  0.83647143  0.66659684  0.66950578  1
  Mn  Mn38  1  0.32859799  0.16615854  0.16965612  1
  Mn  Mn39  1  0.16442929  0.33286115  0.33056931  1
  Mn  Mn40  1  0.49531157  0.83341151  0.66948874  1
  Mn  Mn41  1  0.50050711  0.50009434  0.00019766  1
  Mn  Mn42  1  0.67279291  0.83308345  0.83037159  1
  Mn  Mn43  1  0.50074444  0.99963878  0.00009769  1
  Mn  Mn44  1  0.50043120  0.99952370  0.49994653  1
  Mn  Mn45  1  0.49796764  0.66660256  0.83063022  1
  Mn  Mn46  1  0.17320358  0.49636839  0.66461566  1
  Mn  Mn47  1  0.16300844  0.00271246  0.66517646  1
  Mn  Mn48  1  0.83149300  0.66842322  0.16480249  1
  Mn  Mn49  1  0.16519944  0.66646634  0.99386591  1
  Mn  Mn50  1  0.83799782  0.99659700  0.33544526  1
  Mn  Mn51  1  0.83581933  0.16834910  0.66527562  1
  Mn  Mn52  1  0.50043961  0.33117519  0.66500055  1
  Mn  Mn53  1  0.83504052  0.00292094  0.83454251  1
  O  O54  1  0.56659460  0.17180584  0.17619021  1
  O  O55  1  0.39292085  0.00321634  0.15780949  1
  O  O56  1  0.76880244  0.82254844  0.14949287  1
  O  O57  1  0.23705268  0.84275017  0.17155347  1
  O  O58  1  0.24606187  0.51070560  0.98864037  1
  O  O59  1  0.06868905  0.82338180  0.99867997  1
  O  O60  1  0.76328909  0.15690057  0.82750334  1
  O  O61  1  0.75439217  0.01056030  0.48942579  1
  O  O62  1  0.76027834  0.32300227  0.65093638  1
  O  O63  1  0.61259361  0.83975834  0.98764531  1
  O  O64  1  0.41852347  0.32598822  0.32353290  1
  O  O65  1  0.88851290  0.51161430  0.17769795  1
  O  O66  1  0.60539674  0.00272570  0.34191254  1
  O  O67  1  0.92437935  0.01110663  0.67674932  1
  O  O68  1  0.76620454  0.98870081  0.98862555  1
  O  O69  1  0.93296041  0.17603799  0.00047038  1
  O  O70  1  0.58366588  0.67341673  0.67646680  1
  O  O71  1  0.05280517  0.49728706  0.34237910  1
  O  O72  1  0.94677984  0.50300271  0.65777837  1
  O  O73  1  0.23502012  0.01076132  0.01126226  1
  O  O74  1  0.06820033  0.32319114  0.00050363  1
  O  O75  1  0.90607679  0.34684793  0.34121923  1
  O  O76  1  0.75338930  0.15273485  0.34086316  1
  O  O77  1  0.45076647  0.49720848  0.15788236  1
  O  O78  1  0.75709044  0.48871785  0.48990628  1
  O  O79  1  0.38905717  0.15943146  0.01224479  1
  O  O80  1  0.59029087  0.17645764  0.65076572  1
  O  O81  1  0.74162522  0.82687451  0.67659994  1
  O  O82  1  0.93531285  0.98815937  0.17720016  1
  O  O83  1  0.55055151  0.50310642  0.84241664  1
  O  O84  1  0.24263069  0.67682028  0.34957600  1
  O  O85  1  0.54842695  0.84004055  0.51226448  1
  O  O86  1  0.40970568  0.34249291  0.82726863  1
  O  O87  1  0.59424971  0.65706628  0.17095917  1
  O  O88  1  0.39070139  0.67633153  0.50092094  1
  O  O89  1  0.60028577  0.34014913  0.01247761  1
  O  O90  1  0.40059725  0.65989288  0.98779397  1
  O  O91  1  0.09309602  0.65274421  0.65965496  1
  O  O92  1  0.75556346  0.48881701  0.01124876  1
  O  O93  1  0.24746360  0.84653911  0.65986467  1
  O  O94  1  0.06516176  0.01108867  0.82324055  1
  O  O95  1  0.23344135  0.17651466  0.85007057  1
  O  O96  1  0.09569884  0.15304495  0.16018766  1
  O  O97  1  0.45249801  0.15896946  0.48778990  1
  O  O98  1  0.93451531  0.67640228  0.99766465  1
  O  O99  1  0.25429874  0.65280015  0.83965668  1
  O  O100  1  0.93980459  0.65991304  0.51238479  1
  O  O101  1  0.92056401  0.84257077  0.32930105  1
  O  O102  1  0.10919860  0.82351241  0.50027137  1
  O  O103  1  0.60035801  0.51143764  0.32345405  1
  O  O104  1  0.41001666  0.82279239  0.34983483  1
  O  O105  1  0.08092152  0.67673054  0.14996685  1
  O  O106  1  0.11274916  0.48776132  0.82255106  1
  O  O107  1  0.74903757  0.65688633  0.33080672  1
  O  O108  1  0.24335146  0.51086831  0.51052496  1
  O  O109  1  0.91870611  0.32271159  0.85007837  1
  O  O110  1  0.06108801  0.34006157  0.48771798  1
  O  O111  1  0.74544435  0.67354033  0.82340781  1
  O  O112  1  0.60890193  0.32332778  0.50130424  1
  O  O113  1  0.24634482  0.98880358  0.51111557  1
  O  O114  1  0.07676193  0.98834422  0.32335435  1
  O  O115  1  0.90524974  0.84655805  0.83941516  1
  O  O116  1  0.89148007  0.17590971  0.50143993  1
  O  O117  1  0.26020812  0.17185919  0.32354937  1
  O  O118  1  0.43489608  0.82736389  0.82390819  1
  O  O119  1  0.74773619  0.34687533  0.16009025  1
  O  O120  1  0.39994174  0.48846855  0.67647891  1
  O  O121  1  0.25546332  0.32566324  0.17673067  1
  O  O122  1  0.39629535  0.99609365  0.65809387  1
  O  O123  1  0.08127135  0.15658731  0.67196719  1
  O  O124  1  0.24920423  0.34269383  0.67051494  1
  O  O125  1  0.60797794  0.99610846  0.84219519  1
