# generated using pymatgen data_Li4MnV3(P2O7)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16138400 _cell_length_b 9.59318342 _cell_length_c 9.63854392 _cell_angle_alpha 119.11758483 _cell_angle_beta 100.23918900 _cell_angle_gamma 100.87948354 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4MnV3(P2O7)4 _chemical_formula_sum 'Li4 Mn1 V3 P8 O28' _cell_volume 539.31222238 _cell_formula_units_Z 1 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 0.32467100 0.79091400 0.56987500 1.0 Li Li1 1 0.67451400 0.04322700 0.81924100 1.0 Li Li2 1 0.32486100 0.29012100 0.07113400 1.0 Li Li3 1 0.67475300 0.54401800 0.31778100 1.0 Mn Mn4 1 0.26796100 0.25660000 0.74226000 1.0 V V5 1 0.27158500 0.75630800 0.24352000 1.0 V V6 1 0.72757500 0.49441300 0.00567500 1.0 V V7 1 0.72797400 0.99129600 0.50762300 1.0 P P8 1 0.52285100 0.70730800 0.47171700 1.0 P P9 1 0.52148800 0.20835000 0.97061000 1.0 P P10 1 0.08684000 0.23973200 0.54487300 1.0 P P11 1 0.08773100 0.73836500 0.04467400 1.0 P P12 1 0.91367400 0.86861700 0.41854000 1.0 P P13 1 0.91392000 0.36250200 0.92133100 1.0 P P14 1 0.48184200 0.58033200 0.10002900 1.0 P P15 1 0.47798400 0.08222200 0.59865000 1.0 O O16 1 0.08433300 0.05769600 0.87608300 1.0 O O17 1 0.39188200 0.36980300 0.80663600 1.0 O O18 1 0.50505300 0.88737600 0.95474900 1.0 O O19 1 0.11468600 0.68638900 0.51782000 1.0 O O20 1 0.14489100 0.13510700 0.68909900 1.0 O O21 1 0.48131600 0.40770100 0.62837900 1.0 O O22 1 0.50645400 0.88380500 0.45840100 1.0 O O23 1 0.50594000 0.38527000 0.95725100 1.0 O O24 1 0.60504400 0.91313900 0.76494400 1.0 O O25 1 0.60461900 0.40596400 0.26885700 1.0 O O26 1 0.91653400 0.49308600 0.94065200 1.0 O O27 1 0.91360800 0.99755500 0.43871300 1.0 O O28 1 0.75330400 0.65272300 0.50101100 1.0 O O29 1 0.24669500 0.05914600 0.59455300 1.0 O O30 1 0.24884500 0.56100100 0.09350500 1.0 O O31 1 0.08528100 0.55617900 0.37769300 1.0 O O32 1 0.39540700 0.86927400 0.30746600 1.0 O O33 1 0.49403200 0.39483200 0.44889700 1.0 O O34 1 0.51727700 0.95520200 0.58317100 1.0 O O35 1 0.51755500 0.45222700 0.08430400 1.0 O O36 1 0.85107300 0.58541300 0.73877300 1.0 O O37 1 0.84670600 0.09069300 0.23558200 1.0 O O38 1 0.88713200 0.66492900 0.02981900 1.0 O O39 1 0.88587900 0.16884500 0.52801200 1.0 O O40 1 0.11374200 0.17146700 0.02513900 1.0 O O41 1 0.14858700 0.63767400 0.18687900 1.0 O O42 1 0.48167300 0.90955500 0.12847600 1.0 O O43 1 0.75222500 0.15036000 0.00202700 1.0