# generated using pymatgen
data_LiMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38554304
_cell_length_b   13.32410980
_cell_length_c   13.35239711
_cell_angle_alpha   84.32929782
_cell_angle_beta   71.69900768
_cell_angle_gamma   71.65877210
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2O4
_chemical_formula_sum   'Li18 Mn36 O72'
_cell_volume   1344.44932113
_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  0.12500000  0.75000000  0.75000000  1
  Li  Li1  1  0.87500000  0.25000000  0.25000000  1
  Li  Li2  1  0.46139306  0.75000000  0.07721387  1
  Li  Li3  1  0.78860694  0.75000000  0.42278613  1
  Li  Li4  1  0.53860694  0.25000000  0.92278613  1
  Li  Li5  1  0.21139306  0.25000000  0.57721387  1
  Li  Li6  1  0.45571231  0.08857537  0.75000000  1
  Li  Li7  1  0.79428769  0.41142463  0.75000000  1
  Li  Li8  1  0.54428769  0.91142463  0.25000000  1
  Li  Li9  1  0.20571231  0.58857537  0.25000000  1
  Li  Li10  1  0.79344566  0.08398750  0.09078847  1
  Li  Li11  1  0.12256685  0.08398750  0.40921153  1
  Li  Li12  1  0.11576587  0.41601250  0.09078847  1
  Li  Li13  1  0.46822162  0.41601250  0.40921153  1
  Li  Li14  1  0.20655434  0.91601250  0.90921153  1
  Li  Li15  1  0.87743315  0.91601250  0.59078847  1
  Li  Li16  1  0.88423413  0.58398750  0.90921153  1
  Li  Li17  1  0.53177838  0.58398750  0.59078847  1
  Mn  Mn18  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn19  1  0.50000000  0.00000000  0.50000000  1
  Mn  Mn20  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn21  1  -0.00000000  0.50000000  0.50000000  1
  Mn  Mn22  1  0.83353582  0.66239703  0.66955541  1
  Mn  Mn23  1  0.50406715  0.66239703  0.83044459  1
  Mn  Mn24  1  0.49690877  0.83760297  0.66955541  1
  Mn  Mn25  1  0.66548826  0.83760297  0.83044459  1
  Mn  Mn26  1  0.16646418  0.33760297  0.33044459  1
  Mn  Mn27  1  0.49593285  0.33760297  0.16955541  1
  Mn  Mn28  1  0.50309123  0.16239703  0.33044459  1
  Mn  Mn29  1  0.33451174  0.16239703  0.16955541  1
  Mn  Mn30  1  0.83594440  0.66710395  0.16094254  1
  Mn  Mn31  1  0.49695165  0.66710395  0.33905746  1
  Mn  Mn32  1  0.00311306  0.83289605  0.16094254  1
  Mn  Mn33  1  0.16399089  0.83289605  0.33905746  1
  Mn  Mn34  1  0.16405560  0.33289605  0.83905746  1
  Mn  Mn35  1  0.50304835  0.33289605  0.66094254  1
  Mn  Mn36  1  0.99688694  0.16710395  0.83905746  1
  Mn  Mn37  1  0.83600911  0.16710395  0.66094254  1
  Mn  Mn38  1  0.83432457  0.00479932  0.83588542  1
  Mn  Mn39  1  0.16087611  0.00479932  0.66411458  1
  Mn  Mn40  1  0.32979001  0.49520068  0.83588542  1
  Mn  Mn41  1  0.17500931  0.49520068  0.66411458  1
  Mn  Mn42  1  0.16567543  0.99520068  0.16411458  1
  Mn  Mn43  1  0.83912389  0.99520068  0.33588542  1
  Mn  Mn44  1  0.67020999  0.50479932  0.16411458  1
  Mn  Mn45  1  0.82499069  0.50479932  0.33588542  1
  Mn  Mn46  1  0.84349058  0.83386277  0.99051074  1
  Mn  Mn47  1  0.32264666  0.83386277  0.50948926  1
  Mn  Mn48  1  0.16599868  0.66613723  0.99051074  1
  Mn  Mn49  1  0.16786409  0.66613723  0.50948926  1
  Mn  Mn50  1  0.15650942  0.16613723  0.00948926  1
  Mn  Mn51  1  0.67735334  0.16613723  0.49051074  1
  Mn  Mn52  1  0.83400132  0.33386277  0.00948926  1
  Mn  Mn53  1  0.83213591  0.33386277  0.49051074  1
  O  O54  1  0.89568713  0.84854074  0.83735498  1
  O  O55  1  0.25577213  0.84854074  0.66264502  1
  O  O56  1  0.26695789  0.65145926  0.83735498  1
  O  O57  1  0.08158286  0.65145926  0.66264502  1
  O  O58  1  0.10431287  0.15145926  0.16264502  1
  O  O59  1  0.74422787  0.15145926  0.33735498  1
  O  O60  1  0.73304211  0.34854074  0.16264502  1
  O  O61  1  0.91841714  0.34854074  0.33735498  1
  O  O62  1  0.93582867  0.65657519  0.51400459  1
  O  O63  1  0.40759614  0.65657519  0.98599541  1
  O  O64  1  0.55016674  0.84342481  0.51400459  1
  O  O65  1  0.60640845  0.84342481  0.98599541  1
  O  O66  1  0.06417133  0.34342481  0.48599541  1
  O  O67  1  0.59240386  0.34342481  0.01400459  1
  O  O68  1  0.44983326  0.15657519  0.48599541  1
  O  O69  1  0.39359155  0.15657519  0.01400459  1
  O  O70  1  0.60891648  0.65647425  0.16397941  1
  O  O71  1  0.73460927  0.65647425  0.33602059  1
  O  O72  1  0.22710411  0.84352575  0.16397941  1
  O  O73  1  0.92937014  0.84352575  0.33602059  1
  O  O74  1  0.39108352  0.34352575  0.83602059  1
  O  O75  1  0.26539073  0.34352575  0.66397941  1
  O  O76  1  0.77289589  0.15647425  0.83602059  1
  O  O77  1  0.07062986  0.15647425  0.66397941  1
  O  O78  1  0.59900946  0.00561017  0.84603126  1
  O  O79  1  0.39538037  0.00561017  0.65396874  1
  O  O80  1  0.55495928  0.49438983  0.84603126  1
  O  O81  1  0.95065089  0.49438983  0.65396874  1
  O  O82  1  0.40099054  0.99438983  0.15396874  1
  O  O83  1  0.60461963  0.99438983  0.34603126  1
  O  O84  1  0.44504072  0.50561017  0.15396874  1
  O  O85  1  0.04934911  0.50561017  0.34603126  1
  O  O86  1  0.24998607  0.51293787  0.51289826  1
  O  O87  1  0.23707606  0.51293787  0.98710174  1
  O  O88  1  0.23711567  0.98706213  0.51289826  1
  O  O89  1  0.77582220  0.98706213  0.98710174  1
  O  O90  1  0.75001393  0.48706213  0.48710174  1
  O  O91  1  0.76292394  0.48706213  0.01289826  1
  O  O92  1  0.76288433  0.01293787  0.48710174  1
  O  O93  1  0.22417780  0.01293787  0.01289826  1
  O  O94  1  0.91633204  0.01009710  0.68118508  1
  O  O95  1  0.07357086  0.01009710  0.81881492  1
  O  O96  1  0.40248288  0.48990290  0.68118508  1
  O  O97  1  0.10761422  0.48990290  0.81881492  1
  O  O98  1  0.08366796  0.98990290  0.31881492  1
  O  O99  1  0.92642914  0.98990290  0.18118508  1
  O  O100  1  0.59751712  0.51009710  0.31881492  1
  O  O101  1  0.89238578  0.51009710  0.18118508  1
  O  O102  1  0.77950885  0.82591525  0.14595540  1
  O  O103  1  0.39457589  0.82591525  0.35404460  1
  O  O104  1  0.07453574  0.67408475  0.14595540  1
  O  O105  1  0.25137951  0.67408475  0.35404460  1
  O  O106  1  0.22049115  0.17408475  0.85404460  1
  O  O107  1  0.60542411  0.17408475  0.64595540  1
  O  O108  1  0.92546426  0.32591525  0.85404460  1
  O  O109  1  0.74862049  0.32591525  0.64595540  1
  O  O110  1  0.93035040  0.68144658  0.98925239  1
  O  O111  1  0.38820302  0.68144658  0.51074761  1
  O  O112  1  0.08039721  0.81855342  0.98925239  1
  O  O113  1  0.10104938  0.81855342  0.51074761  1
  O  O114  1  0.06964960  0.31855342  0.01074761  1
  O  O115  1  0.61179698  0.31855342  0.48925239  1
  O  O116  1  0.91960279  0.18144658  0.01074761  1
  O  O117  1  0.89895062  0.18144658  0.48925239  1
  O  O118  1  0.73872725  0.66808399  0.82262577  1
  O  O119  1  0.59318876  0.66808399  0.67737423  1
  O  O120  1  0.43864698  0.83191601  0.82262577  1
  O  O121  1  0.72943701  0.83191601  0.67737423  1
  O  O122  1  0.26127275  0.33191601  0.17737423  1
  O  O123  1  0.40681124  0.33191601  0.32262577  1
  O  O124  1  0.56135302  0.16808399  0.17737423  1
  O  O125  1  0.27056299  0.16808399  0.32262577  1
