# generated using pymatgen
data_Li3Mn2(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86006300
_cell_length_b   9.86104973
_cell_length_c   11.37230221
_cell_angle_alpha   89.86241016
_cell_angle_beta   76.77793889
_cell_angle_gamma   89.57153195
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2(P2O7)2
_chemical_formula_sum   'Li12 Mn8 P16 O56'
_cell_volume   1076.39303038
_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  0.88459800  0.27941700  0.44828500  1
  Li  Li1  1  0.82020200  0.58782800  0.55062800  1
  Li  Li2  1  0.91109000  0.89169000  0.02541900  1
  Li  Li3  1  0.58868600  0.39105600  0.97292000  1
  Li  Li4  1  0.64921900  0.06629200  0.47118000  1
  Li  Li5  1  0.35039800  0.93598900  0.52975700  1
  Li  Li6  1  0.41273400  0.60618300  0.03140400  1
  Li  Li7  1  0.14620300  0.41001800  0.95666200  1
  Li  Li8  1  0.35208500  0.91044600  0.04244900  1
  Li  Li9  1  0.08648000  0.10580400  0.97054700  1
  Li  Li10  1  0.18214900  0.41265300  0.44801600  1
  Li  Li11  1  0.11544400  0.72060400  0.55115900  1
  Mn  Mn12  1  0.79844300  0.07499900  0.67488300  1
  Mn  Mn13  1  0.74081800  0.78509300  0.82527200  1
  Mn  Mn14  1  0.75352600  0.28705900  0.17501800  1
  Mn  Mn15  1  0.70190800  0.57853100  0.32506400  1
  Mn  Mn16  1  0.29667500  0.42046500  0.67333000  1
  Mn  Mn17  1  0.24551700  0.71532000  0.82474200  1
  Mn  Mn18  1  0.25856000  0.21682500  0.17425900  1
  Mn  Mn19  1  0.20376400  0.92500600  0.32610700  1
  P  P20  1  0.97325400  0.54994500  0.75546400  1
  P  P21  1  0.87988300  0.29015900  0.88681300  1
  P  P22  1  0.93885900  0.06928000  0.24182900  1
  P  P23  1  0.87812500  0.85184600  0.42615200  1
  P  P24  1  0.62172200  0.35401600  0.57489000  1
  P  P25  1  0.56163000  0.56878500  0.75936400  1
  P  P26  1  0.47835200  0.95115500  0.75591100  1
  P  P27  1  0.61995900  0.79001100  0.11060600  1
  P  P28  1  0.38333600  0.20747100  0.89163900  1
  P  P29  1  0.52398800  0.04923900  0.24661300  1
  P  P30  1  0.43763700  0.42992200  0.24250400  1
  P  P31  1  0.38033500  0.64762100  0.42118200  1
  P  P32  1  0.12097700  0.14928100  0.57668900  1
  P  P33  1  0.06188600  0.92957200  0.75655000  1
  P  P34  1  0.11724800  0.70798400  0.11059100  1
  P  P35  1  0.02216100  0.45363900  0.24354400  1
  O  O36  1  0.97954200  0.58109800  0.62361500  1
  O  O37  1  0.96692900  0.16100600  0.56446100  1
  O  O38  1  0.91577900  0.91090700  0.73037600  1
  O  O39  1  0.88822000  0.65334800  0.84477600  1
  O  O40  1  0.89728900  0.40695600  0.78187100  1
  O  O41  1  0.82434500  0.17012200  0.82781600  1
  O  O42  1  0.77176100  0.34606200  0.99782900  1
  O  O43  1  0.98025800  0.73462600  0.08068000  1
  O  O44  1  0.88279800  0.92346500  0.29666800  1
  O  O45  1  0.93645300  0.06412100  0.10965600  1
  O  O46  1  0.86727900  0.46386900  0.22554700  1
  O  O47  1  0.81783200  0.71102500  0.41550600  1
  O  O48  1  0.83399100  0.17860000  0.30760000  1
  O  O49  1  0.78762000  0.94491000  0.52121400  1
  O  O50  1  0.72340100  0.43918000  0.47893300  1
  O  O51  1  0.67178700  0.67511700  0.69822300  1
  O  O52  1  0.68632800  0.21205400  0.58027300  1
  O  O53  1  0.63271700  0.95667600  0.77845700  1
  O  O54  1  0.62316500  0.42377600  0.70381100  1
  O  O55  1  0.55837300  0.56254700  0.89253100  1
  O  O56  1  0.51944400  0.23303500  0.92290100  1
  O  O57  1  0.72868700  0.84389100  0.99815400  1
  O  O58  1  0.67598000  0.66905900  0.16968300  1
  O  O59  1  0.60393600  0.90686300  0.21276600  1
  O  O60  1  0.58285200  0.41377900  0.27214700  1
  O  O61  1  0.60446000  0.15448300  0.15800000  1
  O  O62  1  0.47798300  0.91986800  0.62740600  1
  O  O63  1  0.53298000  0.64968800  0.43256300  1
  O  O64  1  0.47211500  0.34932700  0.56189100  1
  O  O65  1  0.51670600  0.07001600  0.37832400  1
  O  O66  1  0.39334000  0.85857200  0.85509200  1
  O  O67  1  0.41767500  0.58720300  0.72843400  1
  O  O68  1  0.41031100  0.10017700  0.77964800  1
  O  O69  1  0.31117600  0.32769500  0.84309500  1
  O  O70  1  0.27668100  0.13690000  0.99854200  1
  O  O71  1  0.48020500  0.77269700  0.07928000  1
  O  O72  1  0.43901400  0.43507800  0.10937000  1
  O  O73  1  0.37844800  0.57870400  0.29328700  1
  O  O74  1  0.37483000  0.03556600  0.21682200  1
  O  O75  1  0.31994400  0.79133300  0.41624500  1
  O  O76  1  0.32887900  0.32726600  0.30732600  1
  O  O77  1  0.27980900  0.56506600  0.51814900  1
  O  O78  1  0.21126300  0.05846700  0.48126800  1
  O  O79  1  0.16610400  0.82282900  0.68779700  1
  O  O80  1  0.17722800  0.29182500  0.58716200  1
  O  O81  1  0.12241000  0.53534800  0.78305000  1
  O  O82  1  0.06627900  0.93319700  0.88863100  1
  O  O83  1  0.11682700  0.07783500  0.70565800  1
  O  O84  1  0.01998500  0.27190100  0.91791500  1
  O  O85  1  0.22282300  0.63598700  0.00405800  1
  O  O86  1  0.18907000  0.82758300  0.15885300  1
  O  O87  1  0.09157500  0.60045500  0.22450800  1
  O  O88  1  0.10604500  0.36042600  0.14405200  1
  O  O89  1  0.08438400  0.08858000  0.26924700  1
  O  O90  1  0.03042800  0.83850800  0.43908200  1
  O  O91  1  0.02493500  0.41289500  0.37157500  1
