# generated using pymatgen
data_LiMn4(P2O7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66944350
_cell_length_b   9.61078627
_cell_length_c   22.18402912
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.59451846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn4(P2O7)3
_chemical_formula_sum   'Li4 Mn16 P24 O84'
_cell_volume   1635.13013432
_cell_formula_units_Z   4
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  0.97006218  0.77608369  0.61138863  1
  Li  Li1  1  0.52993582  0.72391431  0.11138763  1
  Li  Li2  1  0.47006218  0.27608369  0.88861137  1
  Li  Li3  1  0.02993582  0.22391431  0.38861237  1
  Mn  Mn4  1  0.94078574  0.77573089  0.25560175  1
  Mn  Mn5  1  0.55921426  0.72426911  0.75560175  1
  Mn  Mn6  1  0.44078574  0.27573089  0.24439825  1
  Mn  Mn7  1  0.05921426  0.22426911  0.74439825  1
  Mn  Mn8  1  0.96016214  0.70980100  0.76012206  1
  Mn  Mn9  1  0.96713609  0.26974846  0.51235589  1
  Mn  Mn10  1  0.53286391  0.23025154  0.01235589  1
  Mn  Mn11  1  0.53983786  0.79019900  0.26012206  1
  Mn  Mn12  1  0.46016214  0.20980100  0.73987794  1
  Mn  Mn13  1  0.46713609  0.76974846  0.98764411  1
  Mn  Mn14  1  0.03286391  0.73025154  0.48764411  1
  Mn  Mn15  1  0.03983786  0.29019900  0.23987794  1
  Mn  Mn16  1  0.94123836  0.24447710  0.99465214  1
  Mn  Mn17  1  0.55876164  0.25552290  0.49465214  1
  Mn  Mn18  1  0.44123836  0.74447710  0.50534786  1
  Mn  Mn19  1  0.05876164  0.75552290  0.00534786  1
  P  P20  1  0.76219348  0.99712679  0.68496115  1
  P  P21  1  0.77101247  0.83424732  0.88472860  1
  P  P22  1  0.75712027  0.15883151  0.85454190  1
  P  P23  1  0.75657231  0.44556028  0.69965431  1
  P  P24  1  0.73836609  0.96717210  0.54648803  1
  P  P25  1  0.73219871  0.53149656  0.56298658  1
  P  P26  1  0.76780129  0.96850344  0.06298658  1
  P  P27  1  0.76163391  0.53282790  0.04648803  1
  P  P28  1  0.74342769  0.05443972  0.19965431  1
  P  P29  1  0.74287973  0.34116849  0.35454190  1
  P  P30  1  0.72898753  0.66575268  0.38472860  1
  P  P31  1  0.73780652  0.50287321  0.18496115  1
  P  P32  1  0.26219348  0.49712679  0.81503885  1
  P  P33  1  0.27101247  0.33424732  0.61527140  1
  P  P34  1  0.25712027  0.65883151  0.64545810  1
  P  P35  1  0.25657231  0.94556028  0.80034569  1
  P  P36  1  0.23836609  0.46717210  0.95351197  1
  P  P37  1  0.23219871  0.03149656  0.93701342  1
  P  P38  1  0.26780129  0.46850344  0.43701342  1
  P  P39  1  0.26163391  0.03282790  0.45351197  1
  P  P40  1  0.24342769  0.55443972  0.30034569  1
  P  P41  1  0.24287973  0.84116849  0.14545810  1
  P  P42  1  0.22898753  0.16575268  0.11527140  1
  P  P43  1  0.23780652  0.00287321  0.31503885  1
  O  O44  1  0.94232624  0.59789982  0.04390238  1
  O  O45  1  0.93419731  0.37856491  0.70804374  1
  O  O46  1  0.92030214  0.79988601  0.92637035  1
  O  O47  1  0.89433426  0.61964218  0.55713300  1
  O  O48  1  0.91745514  0.20783085  0.82166380  1
  O  O49  1  0.92571237  0.07454210  0.70447807  1
  O  O50  1  0.93972026  0.89226279  0.05341099  1
  O  O51  1  0.91805345  0.32161842  0.31814523  1
  O  O52  1  0.91114188  0.68939647  0.40927419  1
  O  O53  1  0.90776134  0.42476062  0.18458327  1
  O  O54  1  0.90044118  0.13256457  0.22029837  1
  O  O55  1  0.88070199  0.89559092  0.51171585  1
  O  O56  1  0.81105851  0.95086275  0.61548989  1
  O  O57  1  0.78434160  0.99540949  0.86540007  1
  O  O58  1  0.78324521  0.75007078  0.82420157  1
  O  O59  1  0.77374901  0.02375655  0.13057833  1
  O  O60  1  0.77655727  0.26546435  0.41452891  1
  O  O61  1  0.75107901  0.85312856  0.71636478  1
  O  O62  1  0.75713362  0.58927464  0.73266833  1
  O  O63  1  0.76844169  0.37345672  0.03319476  1
  O  O64  1  0.75633152  0.10094532  0.02316286  1
  O  O65  1  0.74366848  0.39905468  0.52316286  1
  O  O66  1  0.73155831  0.12654328  0.53319476  1
  O  O67  1  0.74286638  0.91072536  0.23266833  1
  O  O68  1  0.74892099  0.64687144  0.21636478  1
  O  O69  1  0.72344273  0.23453565  0.91452891  1
  O  O70  1  0.72625099  0.47624345  0.63057833  1
  O  O71  1  0.71675479  0.74992922  0.32420157  1
  O  O72  1  0.71565840  0.50459051  0.36540007  1
  O  O73  1  0.68894149  0.54913725  0.11548989  1
  O  O74  1  0.61929801  0.60440908  0.01171585  1
  O  O75  1  0.59955882  0.36743543  0.72029837  1
  O  O76  1  0.59223866  0.07523938  0.68458327  1
  O  O77  1  0.58885812  0.81060353  0.90927419  1
  O  O78  1  0.58194655  0.17838158  0.81814523  1
  O  O79  1  0.56027974  0.60773721  0.55341099  1
  O  O80  1  0.57428763  0.42545790  0.20447807  1
  O  O81  1  0.58254486  0.29216915  0.32166380  1
  O  O82  1  0.60566574  0.88035782  0.05713300  1
  O  O83  1  0.57969786  0.70011399  0.42637035  1
  O  O84  1  0.56580269  0.12143509  0.20804374  1
  O  O85  1  0.55767376  0.90210018  0.54390238  1
  O  O86  1  0.44232624  0.09789982  0.45609762  1
  O  O87  1  0.43419731  0.87856491  0.79195626  1
  O  O88  1  0.42030214  0.29988601  0.57362965  1
  O  O89  1  0.39433426  0.11964218  0.94286700  1
  O  O90  1  0.41745514  0.70783085  0.67833620  1
  O  O91  1  0.42571237  0.57454210  0.79552193  1
  O  O92  1  0.43972026  0.39226279  0.44658901  1
  O  O93  1  0.41805345  0.82161842  0.18185477  1
  O  O94  1  0.41114188  0.18939647  0.09072581  1
  O  O95  1  0.40776134  0.92476062  0.31541673  1
  O  O96  1  0.40044118  0.63256457  0.27970163  1
  O  O97  1  0.38070199  0.39559092  0.98828415  1
  O  O98  1  0.31105851  0.45086275  0.88451011  1
  O  O99  1  0.28434160  0.49540949  0.63459993  1
  O  O100  1  0.28324521  0.25007078  0.67579843  1
  O  O101  1  0.27374901  0.52375655  0.36942167  1
  O  O102  1  0.27655727  0.76546435  0.08547109  1
  O  O103  1  0.25107901  0.35312856  0.78363522  1
  O  O104  1  0.25713362  0.08927464  0.76733167  1
  O  O105  1  0.26844169  0.87345672  0.46680524  1
  O  O106  1  0.25633152  0.60094532  0.47683714  1
  O  O107  1  0.24366848  0.89905468  0.97683714  1
  O  O108  1  0.23155831  0.62654328  0.96680524  1
  O  O109  1  0.24286638  0.41072536  0.26733167  1
  O  O110  1  0.24892099  0.14687144  0.28363522  1
  O  O111  1  0.22344273  0.73453565  0.58547109  1
  O  O112  1  0.22625099  0.97624345  0.86942167  1
  O  O113  1  0.21675479  0.24992922  0.17579843  1
  O  O114  1  0.21565840  0.00459051  0.13459993  1
  O  O115  1  0.18894149  0.04913725  0.38451011  1
  O  O116  1  0.11929801  0.10440908  0.48828415  1
  O  O117  1  0.09955882  0.86743543  0.77970163  1
  O  O118  1  0.09223866  0.57523938  0.81541673  1
  O  O119  1  0.08885812  0.31060353  0.59072581  1
  O  O120  1  0.08194655  0.67838158  0.68185477  1
  O  O121  1  0.06027974  0.10773721  0.94658901  1
  O  O122  1  0.07428763  0.92545790  0.29552193  1
  O  O123  1  0.08254486  0.79216915  0.17833620  1
  O  O124  1  0.10566574  0.38035782  0.44286700  1
  O  O125  1  0.07969786  0.20011399  0.07362965  1
  O  O126  1  0.06580269  0.62143509  0.29195626  1
  O  O127  1  0.05767376  0.40210018  0.95609762  1
