# generated using pymatgen
data_Li3Mn4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80618400
_cell_length_b   9.81017178
_cell_length_c   11.06461236
_cell_angle_alpha   101.29330437
_cell_angle_beta   89.81644481
_cell_angle_gamma   91.12642011
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn4(P2O7)4
_chemical_formula_sum   'Li6 Mn8 P16 O56'
_cell_volume   1043.60786670
_cell_formula_units_Z   2
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  0.89770300  0.09053200  0.02363500  1
  Li  Li1  1  0.39183900  0.40948200  0.97202400  1
  Li  Li2  1  0.60810900  0.58683200  0.02628000  1
  Li  Li3  1  0.10387500  0.90709500  0.97745800  1
  Li  Li4  1  0.42088800  0.84326900  0.46625300  1
  Li  Li5  1  0.71809000  0.89062000  0.54759500  1
  Mn  Mn6  1  0.08049600  0.19570100  0.65797100  1
  Mn  Mn7  1  0.78583800  0.26719300  0.82946200  1
  Mn  Mn8  1  0.28899600  0.22664300  0.17016900  1
  Mn  Mn9  1  0.57660500  0.30522900  0.34153900  1
  Mn  Mn10  1  0.42269700  0.69500100  0.66951900  1
  Mn  Mn11  1  0.70910900  0.76591200  0.82821400  1
  Mn  Mn12  1  0.21664700  0.73141500  0.17303800  1
  Mn  Mn13  1  0.92354100  0.80731600  0.33597700  1
  P  P14  1  0.55814900  0.02397000  0.75310700  1
  P  P15  1  0.28903500  0.11784900  0.87811700  1
  P  P16  1  0.07017500  0.06305200  0.24521000  1
  P  P17  1  0.85118400  0.13693500  0.43548800  1
  P  P18  1  0.35466600  0.37173000  0.57176900  1
  P  P19  1  0.57607000  0.43441200  0.75794700  1
  P  P20  1  0.93830500  0.53121000  0.75749700  1
  P  P21  1  0.78941700  0.37927500  0.12188900  1
  P  P22  1  0.20845200  0.61612300  0.88237200  1
  P  P23  1  0.06304300  0.46773800  0.24347100  1
  P  P24  1  0.43146000  0.56189700  0.24177900  1
  P  P25  1  0.64801700  0.62997000  0.42913600  1
  P  P26  1  0.14279400  0.86985400  0.56335200  1
  P  P27  1  0.93196100  0.93896600  0.75578200  1
  P  P28  1  0.71065700  0.88156500  0.11939500  1
  P  P29  1  0.43809400  0.97112700  0.24054500  1
  O  O30  1  0.58028300  0.01333800  0.61822300  1
  O  O31  1  0.14812000  0.02104900  0.54906400  1
  O  O32  1  0.92709900  0.08927600  0.72883000  1
  O  O33  1  0.66326100  0.11099300  0.84158900  1
  O  O34  1  0.41497400  0.09685700  0.78306900  1
  O  O35  1  0.18151700  0.18668000  0.80948500  1
  O  O36  1  0.34061900  0.22418800  0.99406300  1
  O  O37  1  0.74699300  0.01825300  0.08821500  1
  O  O38  1  0.93538600  0.13116300  0.30757100  1
  O  O39  1  0.06310600  0.06436100  0.10900000  1
  O  O40  1  0.44764800  0.11803700  0.20333400  1
  O  O41  1  0.71389200  0.19474300  0.41205500  1
  O  O42  1  0.19270800  0.15610700  0.30057300  1
  O  O43  1  0.93631100  0.22692800  0.53937500  1
  O  O44  1  0.43219800  0.28523000  0.46375600  1
  O  O45  1  0.69211800  0.33687200  0.70138200  1
  O  O46  1  0.21211500  0.31653500  0.59395500  1
  O  O47  1  0.94442400  0.38636100  0.79759600  1
  O  O48  1  0.43755300  0.36589500  0.69669900  1
  O  O49  1  0.56655500  0.43079500  0.89386300  1
  O  O50  1  0.23826600  0.47775600  0.91074700  1
  O  O51  1  0.83922800  0.27387200  0.00606200  1
  O  O52  1  0.67658000  0.31186000  0.18963900  1
  O  O53  1  0.91472300  0.39876800  0.21911900  1
  O  O54  1  0.42166600  0.41314800  0.26994600  1
  O  O55  1  0.16212800  0.37381900  0.15769200  1
  O  O56  1  0.90751500  0.52357400  0.62297100  1
  O  O57  1  0.65822000  0.48275400  0.44630100  1
  O  O58  1  0.34987100  0.52646200  0.56409900  1
  O  O59  1  0.09532100  0.47663800  0.37906800  1
  O  O60  1  0.84179400  0.62701100  0.84567000  1
  O  O61  1  0.58861300  0.58357700  0.73167900  1
  O  O62  1  0.08701200  0.60093800  0.78292100  1
  O  O63  1  0.32442700  0.68678100  0.81933700  1
  O  O64  1  0.15753400  0.72179900  0.99762700  1
  O  O65  1  0.75815000  0.51714000  0.09239800  1
  O  O66  1  0.43338300  0.56442600  0.10578200  1
  O  O67  1  0.57271500  0.63009000  0.29882700  1
  O  O68  1  0.05838100  0.61374900  0.20611200  1
  O  O69  1  0.78261700  0.70776800  0.41831700  1
  O  O70  1  0.32029400  0.66422200  0.30313200  1
  O  O71  1  0.55861100  0.72436200  0.52830200  1
  O  O72  1  0.05909000  0.77792500  0.45910700  1
  O  O73  1  0.80692300  0.84890500  0.69851000  1
  O  O74  1  0.28243000  0.81209600  0.58182000  1
  O  O75  1  0.54676500  0.87313200  0.78928200  1
  O  O76  1  0.93806000  0.93447700  0.89077400  1
  O  O77  1  0.06400100  0.86569700  0.69196200  1
  O  O78  1  0.25067900  0.98078600  0.90766800  1
  O  O79  1  0.65938700  0.77277700  0.00426500  1
  O  O80  1  0.81989400  0.81385100  0.18785300  1
  O  O81  1  0.58442000  0.90055300  0.21404200  1
  O  O82  1  0.33743000  0.88009900  0.14862900  1
  O  O83  1  0.07694600  0.91140900  0.27020600  1
  O  O84  1  0.83980500  0.98488400  0.45022700  1
  O  O85  1  0.41077400  0.97480100  0.37300300  1
