# generated using pymatgen data_Li6Fe3Ni(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56982600 _cell_length_b 8.61649862 _cell_length_c 8.62246275 _cell_angle_alpha 61.70081561 _cell_angle_beta 61.67502352 _cell_angle_gamma 61.84759922 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Fe3Ni(PO4)6 _chemical_formula_sum 'Li6 Fe3 Ni1 P6 O24' _cell_volume 467.77815086 _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 0.98013300 0.01120800 0.99889800 1.0 Li Li1 1 0.24584800 0.65078100 0.85223500 1.0 Li Li2 1 0.51949200 0.50492700 0.48948300 1.0 Li Li3 1 0.78023700 0.34168100 0.15308500 1.0 Li Li4 1 0.33786800 0.15511800 0.77895700 1.0 Li Li5 1 0.15721400 0.78207100 0.34028000 1.0 Fe Fe6 1 0.85498000 0.86074200 0.85315400 1.0 Fe Fe7 1 0.64538600 0.64706000 0.63985200 1.0 Fe Fe8 1 0.35408600 0.35218100 0.35455100 1.0 Ni Ni9 1 0.14490200 0.14638500 0.14697100 1.0 P P10 1 0.94914100 0.54691400 0.24969400 1.0 P P11 1 0.54766700 0.25040700 0.94940600 1.0 P P12 1 0.25050800 0.95073500 0.54359400 1.0 P P13 1 0.74948900 0.04271200 0.45619700 1.0 P P14 1 0.45424500 0.74882900 0.03761600 1.0 P P15 1 0.04518700 0.46128300 0.75097100 1.0 O O16 1 0.87626800 0.51523900 0.69659100 1.0 O O17 1 0.68411600 0.88643800 0.49543200 1.0 O O18 1 0.95124200 0.73083800 0.08140200 1.0 O O19 1 0.47090900 0.69213200 0.88397600 1.0 O O20 1 0.75738900 0.57532600 0.40572800 1.0 O O21 1 0.96917500 0.38988700 0.19656200 1.0 O O22 1 0.73841700 0.09260700 0.93199000 1.0 O O23 1 0.55839600 0.41727100 0.76349800 1.0 O O24 1 0.40452400 0.75534500 0.57433500 1.0 O O25 1 0.80401500 0.00670900 0.61796000 1.0 O O26 1 0.91304400 0.05317200 0.26756100 1.0 O O27 1 0.62892500 0.78972500 0.99266800 1.0 O O28 1 0.38805300 0.19736400 0.97239700 1.0 O O29 1 0.09519200 0.93145000 0.73917900 1.0 O O30 1 0.19452600 0.97275900 0.38899600 1.0 O O31 1 0.59584400 0.23883800 0.42733100 1.0 O O32 1 0.42732100 0.59496800 0.23371300 1.0 O O33 1 0.27061700 0.91676300 0.05333300 1.0 O O34 1 0.03408200 0.61847700 0.79886000 1.0 O O35 1 0.23766400 0.42500100 0.59342400 1.0 O O36 1 0.50946500 0.30763300 0.11216000 1.0 O O37 1 0.05083100 0.27358500 0.91409600 1.0 O O38 1 0.31131600 0.11100000 0.50455900 1.0 O O39 1 0.11228400 0.50343800 0.31030700 1.0