# generated using pymatgen data_Li4MnV3(P2O7)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40865200 _cell_length_b 4.97970000 _cell_length_c 26.78349151 _cell_angle_alpha 88.63337522 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4MnV3(P2O7)4 _chemical_formula_sum 'Li8 Mn2 V6 P16 O56' _cell_volume 1121.17446561 _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 0.36261800 0.15968100 0.32999100 1.0 Li Li1 1 0.35767400 0.15818800 0.83194500 1.0 Li Li2 1 0.86045800 0.34040800 0.41838300 1.0 Li Li3 1 0.86231500 0.33782700 0.91707300 1.0 Li Li4 1 0.36231500 0.66217300 0.08292700 1.0 Li Li5 1 0.36045800 0.65959200 0.58161700 1.0 Li Li6 1 0.85767400 0.84181200 0.16805500 1.0 Li Li7 1 0.86261800 0.84031900 0.67000900 1.0 Mn Mn8 1 0.00003500 0.14922600 0.81628800 1.0 Mn Mn9 1 0.50003500 0.85077400 0.18371200 1.0 V V10 1 0.99994400 0.14903100 0.31816300 1.0 V V11 1 0.49954700 0.35142400 0.43204000 1.0 V V12 1 0.49708700 0.34966400 0.93195300 1.0 V V13 1 0.99708700 0.65033600 0.06804700 1.0 V V14 1 0.99954700 0.64857600 0.56796000 1.0 V V15 1 0.49994400 0.85096900 0.68183700 1.0 P P16 1 0.17949100 0.13876100 0.12937300 1.0 P P17 1 0.78368300 0.17245500 0.02174700 1.0 P P18 1 0.18128200 0.13878100 0.63067600 1.0 P P19 1 0.78498700 0.17100500 0.52189600 1.0 P P20 1 0.28100500 0.33158800 0.22867700 1.0 P P21 1 0.67949100 0.35978700 0.11932400 1.0 P P22 1 0.28952400 0.33166600 0.72793800 1.0 P P23 1 0.68074400 0.36110500 0.61957200 1.0 P P24 1 0.18074400 0.63889500 0.38042800 1.0 P P25 1 0.78952400 0.66833400 0.27206200 1.0 P P26 1 0.17949100 0.64021300 0.88067600 1.0 P P27 1 0.78100500 0.66841200 0.77132300 1.0 P P28 1 0.28498700 0.82899500 0.47810400 1.0 P P29 1 0.68128200 0.86121900 0.36932400 1.0 P P30 1 0.28368300 0.82754500 0.97825300 1.0 P P31 1 0.67949100 0.86123900 0.87062700 1.0 O O32 1 0.84329000 0.00294100 0.37306000 1.0 O O33 1 0.54198300 0.05456300 0.37900500 1.0 O O34 1 0.68284500 0.10364600 0.15115400 1.0 O O35 1 0.83951500 0.99757500 0.87669900 1.0 O O36 1 0.53719200 0.05198200 0.88001900 1.0 O O37 1 0.42705100 0.15293600 0.23122500 1.0 O O38 1 0.67649900 0.09717000 0.65083900 1.0 O O39 1 0.32655700 0.11775600 0.46252100 1.0 O O40 1 0.15543100 0.21697500 0.18738100 1.0 O O41 1 0.43544400 0.14385300 0.72710600 1.0 O O42 1 0.69799000 0.19192700 0.47175000 1.0 O O43 1 0.33026500 0.11833400 0.96354500 1.0 O O44 1 0.65390500 0.27480200 0.06165800 1.0 O O45 1 0.15573400 0.22203300 0.68838800 1.0 O O46 1 0.69517700 0.19331100 0.97171500 1.0 O O47 1 0.18887700 0.30664300 0.27817600 1.0 O O48 1 0.93049400 0.35887600 0.02146600 1.0 O O49 1 0.65398700 0.28013700 0.56182100 1.0 O O50 1 0.83044600 0.38082100 0.28934200 1.0 O O51 1 0.20832500 0.31772200 0.77832800 1.0 O O52 1 0.16926100 0.40774400 0.09875300 1.0 O O53 1 0.93123800 0.35805000 0.52165200 1.0 O O54 1 0.81738400 0.38062600 0.78531500 1.0 O O55 1 0.17696800 0.40116000 0.59885100 1.0 O O56 1 0.04124400 0.44586900 0.37091600 1.0 O O57 1 0.84175200 0.50927500 0.12141200 1.0 O O58 1 0.34260900 0.49719800 0.37659700 1.0 O O59 1 0.03981100 0.45380200 0.87158000 1.0 O O60 1 0.53981100 0.54619800 0.12842000 1.0 O O61 1 0.84260900 0.50280200 0.62340300 1.0 O O62 1 0.34175200 0.49072500 0.87858800 1.0 O O63 1 0.54124400 0.55413100 0.62908400 1.0 O O64 1 0.67696800 0.59884000 0.40114900 1.0 O O65 1 0.31738400 0.61937400 0.21468500 1.0 O O66 1 0.43123800 0.64195000 0.47834800 1.0 O O67 1 0.66926100 0.59225600 0.90124700 1.0 O O68 1 0.70832500 0.68227800 0.22167200 1.0 O O69 1 0.33044600 0.61917900 0.71065800 1.0 O O70 1 0.15398700 0.71986300 0.43817900 1.0 O O71 1 0.43049400 0.64112400 0.97853400 1.0 O O72 1 0.68887700 0.69335700 0.72182400 1.0 O O73 1 0.19517700 0.80668900 0.02828500 1.0 O O74 1 0.65573400 0.77796700 0.31161200 1.0 O O75 1 0.15390500 0.72519800 0.93834200 1.0 O O76 1 0.83026500 0.88166600 0.03645500 1.0 O O77 1 0.19799000 0.80807300 0.52825000 1.0 O O78 1 0.93544400 0.85614700 0.27289400 1.0 O O79 1 0.65543100 0.78302500 0.81261900 1.0 O O80 1 0.82655700 0.88224400 0.53747900 1.0 O O81 1 0.17649900 0.90283000 0.34916100 1.0 O O82 1 0.92705100 0.84706400 0.76877500 1.0 O O83 1 0.03719200 0.94801800 0.11998100 1.0 O O84 1 0.33951500 0.00242500 0.12330100 1.0 O O85 1 0.18284500 0.89635400 0.84884600 1.0 O O86 1 0.04198300 0.94543700 0.62099500 1.0 O O87 1 0.34329000 0.99705900 0.62694000 1.0