# generated using pymatgen data_LiNi4P7O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.30450700 _cell_length_b 10.38173180 _cell_length_c 10.64801090 _cell_angle_alpha 111.38196518 _cell_angle_beta 107.71881906 _cell_angle_gamma 105.03994795 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNi4P7O24 _chemical_formula_sum 'Li2 Ni8 P14 O48' _cell_volume 918.04714199 _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 0.15097200 0.54435400 0.57762900 1.0 Li Li1 1 0.84902800 0.45564600 0.42237100 1.0 Ni Ni2 1 0.89861600 0.50288400 0.74388500 1.0 Ni Ni3 1 0.38088100 0.00062200 0.07682000 1.0 Ni Ni4 1 0.10138400 0.49711600 0.25611500 1.0 Ni Ni5 1 0.33817800 0.49279100 0.11982600 1.0 Ni Ni6 1 0.17044900 0.01892200 0.58085800 1.0 Ni Ni7 1 0.66182200 0.50720900 0.88017400 1.0 Ni Ni8 1 0.61911900 0.99937800 0.92318000 1.0 Ni Ni9 1 0.82955100 0.98107800 0.41914200 1.0 P P10 1 0.05793100 0.79689800 0.73540900 1.0 P P11 1 0.81869500 0.26712300 0.87725500 1.0 P P12 1 0.04116600 0.26620300 0.75161400 1.0 P P13 1 0.37371800 0.80402800 0.56694300 1.0 P P14 1 0.61232600 0.74476300 0.47970200 1.0 P P15 1 0.62628200 0.19597200 0.43305700 1.0 P P16 1 0.18130500 0.73287700 0.12274500 1.0 P P17 1 0.95883400 0.73379700 0.24838600 1.0 P P18 1 0.54097100 0.75600400 0.05242700 1.0 P P19 1 0.22259400 0.23721000 0.22567700 1.0 P P20 1 0.45902900 0.24399600 0.94757300 1.0 P P21 1 0.77740600 0.76279000 0.77432300 1.0 P P22 1 0.38767400 0.25523700 0.52029800 1.0 P P23 1 0.94206900 0.20310200 0.26459100 1.0 O O24 1 0.34060900 0.31535900 0.39961700 1.0 O O25 1 0.09371200 0.80217800 0.21284500 1.0 O O26 1 0.08682000 0.86872000 0.64142000 1.0 O O27 1 0.68188600 0.13050100 0.83146000 1.0 O O28 1 0.26367900 0.63540100 0.47638500 1.0 O O29 1 0.75563600 0.85699300 0.50630100 1.0 O O30 1 0.43815400 0.34995800 0.07781600 1.0 O O31 1 0.06078500 0.15183300 0.21201900 1.0 O O32 1 0.92259200 0.35060400 0.04596100 1.0 O O33 1 0.01688900 0.38016400 0.69693600 1.0 O O34 1 0.56714400 0.15375100 0.26652200 1.0 O O35 1 0.18474900 0.34991600 0.89674400 1.0 O O36 1 0.73632100 0.36459900 0.52361500 1.0 O O37 1 0.78550200 0.38093700 0.82448700 1.0 O O38 1 0.51169300 0.88220200 0.01977000 1.0 O O39 1 0.31811400 0.86949900 0.16854000 1.0 O O40 1 0.97003200 0.87414700 0.37445600 1.0 O O41 1 0.81525100 0.65008400 0.10325600 1.0 O O42 1 0.21811600 0.37001400 0.19750700 1.0 O O43 1 0.48464600 0.39324600 0.67094900 1.0 O O44 1 0.48588500 0.16695300 0.47240700 1.0 O O45 1 0.65939100 0.68464100 0.60038300 1.0 O O46 1 0.91318000 0.13128000 0.35858000 1.0 O O47 1 0.74269300 0.87775500 0.87491800 1.0 O O48 1 0.51411500 0.83304700 0.52759300 1.0 O O49 1 0.07740800 0.64939600 0.95403900 1.0 O O50 1 0.78188400 0.62998600 0.80249300 1.0 O O51 1 0.32836400 0.16843400 0.79262100 1.0 O O52 1 0.69085100 0.08847200 0.46375400 1.0 O O53 1 0.51535400 0.60675400 0.32905100 1.0 O O54 1 0.67163600 0.83156600 0.20737900 1.0 O O55 1 0.98311100 0.61983600 0.30306400 1.0 O O56 1 0.59802100 0.36004900 0.96010800 1.0 O O57 1 0.98997500 0.62071200 0.64365000 1.0 O O58 1 0.01002500 0.37928800 0.35635000 1.0 O O59 1 0.20135800 0.85347300 0.87560100 1.0 O O60 1 0.02996800 0.12585300 0.62554400 1.0 O O61 1 0.21449800 0.61906300 0.17551300 1.0 O O62 1 0.93921500 0.84816700 0.78798100 1.0 O O63 1 0.25730700 0.12224500 0.12508200 1.0 O O64 1 0.40197900 0.63995100 0.03989200 1.0 O O65 1 0.56184600 0.65004200 0.92218400 1.0 O O66 1 0.48830700 0.11779800 0.98023000 1.0 O O67 1 0.79864200 0.14652700 0.12439900 1.0 O O68 1 0.24436400 0.14300700 0.49369900 1.0 O O69 1 0.90628800 0.19782200 0.78715500 1.0 O O70 1 0.30914900 0.91152800 0.53624600 1.0 O O71 1 0.43285600 0.84624900 0.73347800 1.0