# generated using pymatgen data_Li2VFeP2(O4F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22473300 _cell_length_b 7.41181284 _cell_length_c 15.01772246 _cell_angle_alpha 94.18560422 _cell_angle_beta 92.43768610 _cell_angle_gamma 108.71658853 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2VFeP2(O4F)2 _chemical_formula_sum 'Li6 V3 Fe3 P6 O24 F6' _cell_volume 547.99342318 _cell_formula_units_Z 3 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 0.93570700 0.01653800 0.20478200 1.0 Li Li1 1 0.73107300 0.64922000 0.46154800 1.0 Li Li2 1 0.39687900 0.31573800 0.12819500 1.0 Li Li3 1 0.60312100 0.68426200 0.87180500 1.0 Li Li4 1 0.26892700 0.35078000 0.53845200 1.0 Li Li5 1 0.06429300 0.98346200 0.79521800 1.0 V V6 1 0.00000000 0.50000000 0.00000000 1.0 V V7 1 0.66650300 0.66675500 0.66668800 1.0 V V8 1 0.33349700 0.33324500 0.33331200 1.0 Fe Fe9 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe10 1 0.66686700 0.16680700 0.66665100 1.0 Fe Fe11 1 0.33313300 0.83319300 0.33334900 1.0 P P12 1 0.89104000 0.45172800 0.21373300 1.0 P P13 1 0.77575300 0.21489400 0.45321200 1.0 P P14 1 0.55719100 0.11739900 0.88003500 1.0 P P15 1 0.44280900 0.88260100 0.11996500 1.0 P P16 1 0.22424700 0.78510600 0.54678800 1.0 P P17 1 0.10896000 0.54827200 0.78626700 1.0 O O18 1 0.98760000 0.34772200 0.73734200 1.0 O O19 1 0.86131200 0.21080300 0.55326800 1.0 O O20 1 0.76157000 0.00178200 0.88795800 1.0 O O21 1 0.65404000 0.01423700 0.40399400 1.0 O O22 1 0.80548700 0.45759700 0.11385700 1.0 O O23 1 0.95224800 0.67026600 0.58396300 1.0 O O24 1 0.90758900 0.66567200 0.77853500 1.0 O O25 1 0.61853900 0.33667000 0.25034400 1.0 O O26 1 0.67722000 0.31826400 0.92880200 1.0 O O27 1 0.57440100 0.33219700 0.44517800 1.0 O O28 1 0.47220700 0.12319200 0.78035400 1.0 O O29 1 0.71404300 0.99635800 0.08154600 1.0 O O30 1 0.28595700 0.00364200 0.91845400 1.0 O O31 1 0.52779300 0.87680800 0.21964600 1.0 O O32 1 0.42559900 0.66780300 0.55482200 1.0 O O33 1 0.32278000 0.68173600 0.07119800 1.0 O O34 1 0.38146100 0.66333000 0.74965600 1.0 O O35 1 0.09241100 0.33432800 0.22146500 1.0 O O36 1 0.04775200 0.32973400 0.41603700 1.0 O O37 1 0.19451300 0.54240300 0.88614300 1.0 O O38 1 0.34596000 0.98576300 0.59600600 1.0 O O39 1 0.23843000 0.99821800 0.11204200 1.0 O O40 1 0.13868800 0.78919700 0.44673200 1.0 O O41 1 0.01240000 0.65227800 0.26265800 1.0 F F42 1 0.84629200 0.71407000 0.97579400 1.0 F F43 1 0.82070900 0.95518000 0.69073200 1.0 F F44 1 0.51283000 0.37827500 0.64247800 1.0 F F45 1 0.48717000 0.62172500 0.35752200 1.0 F F46 1 0.17929100 0.04482000 0.30926800 1.0 F F47 1 0.15370800 0.28593000 0.02420600 1.0