# generated using pymatgen
data_LiMnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.70019900
_cell_length_b   9.74321359
_cell_length_c   11.18617200
_cell_angle_alpha   78.97594860
_cell_angle_beta   89.50920219
_cell_angle_gamma   89.55444723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnP2O7
_chemical_formula_sum   'Li8 Mn8 P16 O56'
_cell_volume   1037.65034110
_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  0.59753400  0.58688300  0.97904200  1
  Li  Li1  1  0.91441100  0.66669800  0.45787700  1
  Li  Li2  1  0.21680500  0.61001200  0.54872300  1
  Li  Li3  1  0.58559500  0.15632800  0.95650300  1
  Li  Li4  1  0.10293800  0.35502600  0.04751400  1
  Li  Li5  1  0.90255500  0.08384600  0.97570300  1
  Li  Li6  1  0.58142100  0.16278400  0.46266400  1
  Li  Li7  1  0.28452700  0.10972500  0.54749000  1
  Mn  Mn8  1  0.92674100  0.79788500  0.67585000  1
  Mn  Mn9  1  0.21727400  0.72944500  0.83894000  1
  Mn  Mn10  1  0.72386900  0.77845300  0.16764800  1
  Mn  Mn11  1  0.42919100  0.69163000  0.33103300  1
  Mn  Mn12  1  0.57353400  0.30072500  0.67359300  1
  Mn  Mn13  1  0.27704000  0.22188100  0.83995900  1
  Mn  Mn14  1  0.77808000  0.28271300  0.16584200  1
  Mn  Mn15  1  0.06778900  0.19245500  0.33160200  1
  P  P16  1  0.44523800  0.97189200  0.75351400  1
  P  P17  1  0.70904500  0.88363200  0.88595700  1
  P  P18  1  0.93026400  0.93485200  0.24250300  1
  P  P19  1  0.15474900  0.86964500  0.42133500  1
  P  P20  1  0.64217400  0.62265300  0.57181800  1
  P  P21  1  0.42608500  0.56620700  0.75898200  1
  P  P22  1  0.05440300  0.47404000  0.75567500  1
  P  P23  1  0.21237600  0.62003600  0.11699800  1
  P  P24  1  0.79181900  0.38775700  0.88891900  1
  P  P25  1  0.94028500  0.53358800  0.24248800  1
  P  P26  1  0.56924700  0.43350800  0.24213600  1
  P  P27  1  0.34027200  0.36803700  0.41796400  1
  P  P28  1  0.85540900  0.12210300  0.57830000  1
  P  P29  1  0.07719800  0.06926600  0.75779900  1
  P  P30  1  0.28796200  0.10940300  0.11590700  1
  P  P31  1  0.56111300  0.03370600  0.23903800  1
  O  O32  1  0.42273600  0.98331800  0.62087200  1
  O  O33  1  0.84943000  0.96412500  0.57566500  1
  O  O34  1  0.08794100  0.92146600  0.73092400  1
  O  O35  1  0.34171600  0.89031500  0.84318000  1
  O  O36  1  0.59090900  0.89552700  0.78457800  1
  O  O37  1  0.83088400  0.82084300  0.82705500  1
  O  O38  1  0.65730700  0.77706200  0.99967300  1
  O  O39  1  0.25746600  0.97160100  0.08606500  1
  O  O40  1  0.07746500  0.87589000  0.29248700  1
  O  O41  1  0.91315800  0.93239300  0.10960800  1
  O  O42  1  0.55944700  0.88604500  0.20269500  1
  O  O43  1  0.29276300  0.79971500  0.40649700  1
  O  O44  1  0.82296700  0.82897100  0.31096400  1
  O  O45  1  0.06623100  0.77462100  0.51935400  1
  O  O46  1  0.56095200  0.70447700  0.46493000  1
  O  O47  1  0.30346800  0.65647500  0.69767100  1
  O  O48  1  0.78571600  0.67854700  0.58654000  1
  O  O49  1  0.04151100  0.62841300  0.78609600  1
  O  O50  1  0.56351800  0.63709600  0.69656000  1
  O  O51  1  0.42672700  0.57841500  0.89067000  1
  O  O52  1  0.76470300  0.52827600  0.91687800  1
  O  O53  1  0.16355600  0.72893600  0.00425200  1
  O  O54  1  0.33005500  0.68114800  0.18233400  1
  O  O55  1  0.08609300  0.60971300  0.21428100  1
  O  O56  1  0.57915200  0.58261200  0.27120700  1
  O  O57  1  0.83713800  0.62017700  0.15330100  1
  O  O58  1  0.08754300  0.47559000  0.62578700  1
  O  O59  1  0.32866400  0.51703400  0.43932500  1
  O  O60  1  0.64866400  0.46324900  0.57034300  1
  O  O61  1  0.91428400  0.52206400  0.37445100  1
  O  O62  1  0.15075600  0.38917700  0.85367100  1
  O  O63  1  0.42011900  0.41513000  0.73025800  1
  O  O64  1  0.90665700  0.40088600  0.78229700  1
  O  O65  1  0.67204600  0.31266800  0.84074800  1
  O  O66  1  0.85846100  0.28234300  0.00129100  1
  O  O67  1  0.23506100  0.47829600  0.08777200  1
  O  O68  1  0.58801300  0.42740400  0.10945000  1
  O  O69  1  0.42220100  0.37321800  0.28985700  1
  O  O70  1  0.94962900  0.38618800  0.20062600  1
  O  O71  1  0.20048000  0.30477100  0.39941500  1
  O  O72  1  0.67976200  0.32954700  0.30992900  1
  O  O73  1  0.42505100  0.27027600  0.51455400  1
  O  O74  1  0.93226500  0.20327700  0.46864200  1
  O  O75  1  0.19669100  0.16412700  0.69456300  1
  O  O76  1  0.70844300  0.17806800  0.59597500  1
  O  O77  1  0.46020600  0.12493900  0.79094400  1
  O  O78  1  0.07851200  0.08899400  0.88881100  1
  O  O79  1  0.93537400  0.13844300  0.70041300  1
  O  O80  1  0.72980800  0.02652600  0.91535500  1
  O  O81  1  0.34776400  0.21725000  0.00288800  1
  O  O82  1  0.16874200  0.18663400  0.17276900  1
  O  O83  1  0.40795200  0.09834900  0.21700600  1
  O  O84  1  0.65286300  0.12878500  0.14123900  1
  O  O85  1  0.91907000  0.08553800  0.27112000  1
  O  O86  1  0.16835800  0.01904500  0.44053500  1
  O  O87  1  0.59497700  0.03117100  0.36800100  1
