# generated using pymatgen data_Li4FeNi5(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33095700 _cell_length_b 8.39599640 _cell_length_c 8.41041421 _cell_angle_alpha 63.25094261 _cell_angle_beta 63.44243248 _cell_angle_gamma 63.58182306 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4FeNi5(PO4)6 _chemical_formula_sum 'Li4 Fe1 Ni5 P6 O24' _cell_volume 447.49519432 _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 0.74744600 0.14558000 0.35613700 1.0 Li Li1 1 0.26450200 0.85423700 0.64528900 1.0 Li Li2 1 0.64462000 0.26373400 0.85484100 1.0 Li Li3 1 0.85474600 0.64461000 0.26505600 1.0 Fe Fe4 1 0.85100200 0.84943200 0.85168100 1.0 Ni Ni5 1 0.00784900 0.00243200 0.99698800 1.0 Ni Ni6 1 0.35795900 0.35636700 0.35677000 1.0 Ni Ni7 1 0.49353000 0.50250400 0.49885900 1.0 Ni Ni8 1 0.14257000 0.14446100 0.14498400 1.0 Ni Ni9 1 0.64549400 0.64649300 0.64846000 1.0 P P10 1 0.05597200 0.74687000 0.44583800 1.0 P P11 1 0.44254400 0.05207100 0.75145400 1.0 P P12 1 0.74921700 0.44476700 0.05199500 1.0 P P13 1 0.24934300 0.54768800 0.95321600 1.0 P P14 1 0.55239600 0.95431500 0.25032000 1.0 P P15 1 0.94793200 0.24872400 0.54609000 1.0 O O16 1 0.47266200 0.89590400 0.68403700 1.0 O O17 1 0.68010000 0.47468900 0.89778500 1.0 O O18 1 0.89815600 0.67849900 0.47625000 1.0 O O19 1 0.05366300 0.91199500 0.25801400 1.0 O O20 1 0.01296000 0.81578200 0.60791400 1.0 O O21 1 0.25081200 0.59830200 0.43142000 1.0 O O22 1 0.24863000 0.07235700 0.90365600 1.0 O O23 1 0.45105000 0.24061900 0.58963100 1.0 O O24 1 0.17984500 0.39213300 0.98848200 1.0 O O25 1 0.60305000 0.42879200 0.25174200 1.0 O O26 1 0.09654100 0.74912900 0.92937500 1.0 O O27 1 0.38949500 0.00054700 0.18758700 1.0 O O28 1 0.60549600 0.00808300 0.82269400 1.0 O O29 1 0.89868900 0.24626900 0.07436300 1.0 O O30 1 0.40078200 0.56806100 0.75312700 1.0 O O31 1 0.82056200 0.60446700 0.01121900 1.0 O O32 1 0.56838800 0.75403400 0.40294300 1.0 O O33 1 0.75374300 0.92528600 0.09448500 1.0 O O34 1 0.74869300 0.40317800 0.57216100 1.0 O O35 1 0.96317300 0.18301200 0.39622600 1.0 O O36 1 0.92936000 0.09457000 0.74802000 1.0 O O37 1 0.11159100 0.30975400 0.50123700 1.0 O O38 1 0.31665800 0.51224200 0.10887500 1.0 O O39 1 0.53877600 0.10501200 0.31377800 1.0