# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73095000
_cell_length_b   9.83945325
_cell_length_c   11.07438586
_cell_angle_alpha   100.32973810
_cell_angle_beta   90.04756202
_cell_angle_gamma   90.78956278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li8 Mn8 P16 O56'
_cell_volume   1043.05091276
_cell_formula_units_Z   8
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  0.28998100  0.11971900  0.45267500  1
  Li  Li1  1  0.89387800  0.08806700  0.02089200  1
  Li  Li2  1  0.40436400  0.41671100  0.97535100  1
  Li  Li3  1  0.79551900  0.39112500  0.54369300  1
  Li  Li4  1  0.88890600  0.64985000  0.04781400  1
  Li  Li5  1  0.10982600  0.90962100  0.97936500  1
  Li  Li6  1  0.41689100  0.82787000  0.45457000  1
  Li  Li7  1  0.71582100  0.88987900  0.55014300  1
  Mn  Mn8  1  0.07289800  0.19932800  0.66536900  1
  Mn  Mn9  1  0.77408700  0.27805600  0.83915300  1
  Mn  Mn10  1  0.28688600  0.22716600  0.16484100  1
  Mn  Mn11  1  0.57306100  0.30654900  0.33501800  1
  Mn  Mn12  1  0.42325100  0.69995100  0.67326200  1
  Mn  Mn13  1  0.70789600  0.76505300  0.83180200  1
  Mn  Mn14  1  0.22605200  0.71263800  0.16308400  1
  Mn  Mn15  1  0.92825300  0.80609800  0.33601200  1
  P  P16  1  0.55633000  0.02392500  0.75117600  1
  P  P17  1  0.28879600  0.12049700  0.87858200  1
  P  P18  1  0.06821500  0.06057100  0.24374200  1
  P  P19  1  0.84950300  0.13259200  0.43225200  1
  P  P20  1  0.35257100  0.37850800  0.57584100  1
  P  P21  1  0.57775500  0.43224000  0.75859400  1
  P  P22  1  0.93531800  0.53696500  0.76277300  1
  P  P23  1  0.79119900  0.38093100  0.12096900  1
  P  P24  1  0.20873900  0.61421500  0.88097500  1
  P  P25  1  0.06579100  0.46130100  0.24726800  1
  P  P26  1  0.43042700  0.56389400  0.24274500  1
  P  P27  1  0.65267200  0.62943700  0.42550300  1
  P  P28  1  0.14486600  0.87402100  0.56398800  1
  P  P29  1  0.93227000  0.93931800  0.75699000  1
  P  P30  1  0.70998600  0.88173300  0.11895500  1
  P  P31  1  0.43757600  0.96802700  0.23622200  1
  O  O32  1  0.57724700  0.01475900  0.61625000  1
  O  O33  1  0.15459400  0.02562200  0.54843900  1
  O  O34  1  0.92362900  0.08807400  0.72765100  1
  O  O35  1  0.66270300  0.10591900  0.83904800  1
  O  O36  1  0.41263400  0.09918700  0.78036100  1
  O  O37  1  0.17739200  0.19014700  0.81125900  1
  O  O38  1  0.34165200  0.22814400  0.99164200  1
  O  O39  1  0.74680700  0.02126600  0.09643400  1
  O  O40  1  0.93367800  0.13070900  0.30643200  1
  O  O41  1  0.06181200  0.06433100  0.10854400  1
  O  O42  1  0.44700500  0.11556600  0.20109000  1
  O  O43  1  0.71609800  0.20681700  0.41407800  1
  O  O44  1  0.19251100  0.15116200  0.29978000  1
  O  O45  1  0.93193900  0.22386300  0.53655500  1
  O  O46  1  0.42902300  0.29087700  0.46672500  1
  O  O47  1  0.69346400  0.33793200  0.69294000  1
  O  O48  1  0.21453900  0.30767500  0.58966800  1
  O  O49  1  0.93856400  0.39210900  0.80388100  1
  O  O50  1  0.43611600  0.36758700  0.69963300  1
  O  O51  1  0.58083500  0.41071800  0.89033700  1
  O  O52  1  0.24232100  0.47777700  0.91106700  1
  O  O53  1  0.83441900  0.27054600  0.00633300  1
  O  O54  1  0.67115700  0.31874100  0.18604800  1
  O  O55  1  0.91511000  0.39003600  0.21801100  1
  O  O56  1  0.42155900  0.41411700  0.26991500  1
  O  O57  1  0.16192000  0.37172500  0.15257400  1
  O  O58  1  0.89534600  0.53808600  0.63315100  1
  O  O59  1  0.66339100  0.48214100  0.44647500  1
  O  O60  1  0.34680800  0.53248000  0.57057600  1
  O  O61  1  0.09343700  0.46852500  0.37941500  1
  O  O62  1  0.85056800  0.63571400  0.86177500  1
  O  O63  1  0.58910500  0.58238600  0.73678100  1
  O  O64  1  0.08882400  0.59884900  0.77952900  1
  O  O65  1  0.32392800  0.69136600  0.82274500  1
  O  O66  1  0.14960300  0.71662100  0.99608100  1
  O  O67  1  0.76792900  0.51779900  0.08633100  1
  O  O68  1  0.41320800  0.57159400  0.10881300  1
  O  O69  1  0.57665800  0.62490600  0.29427800  1
  O  O70  1  0.05894100  0.60558500  0.19923600  1
  O  O71  1  0.78974600  0.70069700  0.41169500  1
  O  O72  1  0.32291600  0.66789200  0.31022000  1
  O  O73  1  0.56377600  0.72316900  0.52287300  1
  O  O74  1  0.05892800  0.78328800  0.46343100  1
  O  O75  1  0.80760100  0.84854700  0.70106200  1
  O  O76  1  0.28602000  0.81562600  0.58176100  1
  O  O77  1  0.54373100  0.87093000  0.78526500  1
  O  O78  1  0.94116500  0.93416200  0.89187700  1
  O  O79  1  0.06726000  0.87061200  0.69287200  1
  O  O80  1  0.25432700  0.98436400  0.91087600  1
  O  O81  1  0.66158600  0.77677900  0.00464800  1
  O  O82  1  0.82462100  0.80692400  0.18213600  1
  O  O83  1  0.58492800  0.89622300  0.21656300  1
  O  O84  1  0.33553900  0.87791400  0.14899100  1
  O  O85  1  0.07630000  0.91172000  0.27222900  1
  O  O86  1  0.83151400  0.98213600  0.44525600  1
  O  O87  1  0.40937800  0.97584400  0.37115700  1
