# generated using pymatgen data_Li7Ni2P7O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06777000 _cell_length_b 12.21751500 _cell_length_c 15.11314657 _cell_angle_alpha 82.90865406 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7Ni2P7O24 _chemical_formula_sum 'Li14 Ni4 P14 O48' _cell_volume 928.58102761 _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 0.27251400 0.48066600 0.05799500 1.0 Li Li1 1 0.17417100 0.11250600 0.13618200 1.0 Li Li2 1 0.72748600 0.98066600 0.05799500 1.0 Li Li3 1 0.82582900 0.61250600 0.13618200 1.0 Li Li4 1 0.84301700 0.44128900 0.40717700 1.0 Li Li5 1 0.15698300 0.94128900 0.40717700 1.0 Li Li6 1 0.29843200 0.25000000 0.50000000 1.0 Li Li7 1 0.70156800 0.75000000 0.50000000 1.0 Li Li8 1 0.84301700 0.05871100 0.59282300 1.0 Li Li9 1 0.15698300 0.55871100 0.59282300 1.0 Li Li10 1 0.17417100 0.38749400 0.86381800 1.0 Li Li11 1 0.27251400 0.01933400 0.94200500 1.0 Li Li12 1 0.82582900 0.88749400 0.86381800 1.0 Li Li13 1 0.72748600 0.51933400 0.94200500 1.0 Ni Ni14 1 0.36195000 0.29122100 0.28401500 1.0 Ni Ni15 1 0.63805000 0.79122100 0.28401500 1.0 Ni Ni16 1 0.36195000 0.20877900 0.71598500 1.0 Ni Ni17 1 0.63805000 0.70877900 0.71598500 1.0 P P18 1 0.55641000 0.25000000 0.00000000 1.0 P P19 1 0.44359000 0.75000000 0.00000000 1.0 P P20 1 0.86534500 0.34391400 0.13853200 1.0 P P21 1 0.13465500 0.84391400 0.13853200 1.0 P P22 1 0.62040100 0.05021500 0.27264300 1.0 P P23 1 0.37959900 0.55021500 0.27264300 1.0 P P24 1 0.85382700 0.19415200 0.39314600 1.0 P P25 1 0.14617300 0.69415200 0.39314600 1.0 P P26 1 0.85382700 0.30584800 0.60685400 1.0 P P27 1 0.14617300 0.80584800 0.60685400 1.0 P P28 1 0.62040100 0.44978500 0.72735700 1.0 P P29 1 0.37959900 0.94978500 0.72735700 1.0 P P30 1 0.86534500 0.15608600 0.86146800 1.0 P P31 1 0.13465500 0.65608600 0.86146800 1.0 O O32 1 0.40844100 0.14172200 0.01547800 1.0 O O33 1 0.59155900 0.64172200 0.01547800 1.0 O O34 1 0.75979500 0.24692300 0.08175800 1.0 O O35 1 0.86874600 0.45279700 0.07671800 1.0 O O36 1 0.24020500 0.74692300 0.08175800 1.0 O O37 1 0.13125400 0.95279700 0.07671800 1.0 O O38 1 0.13512400 0.29741400 0.16828000 1.0 O O39 1 0.74249800 0.01595900 0.18841000 1.0 O O40 1 0.67650200 0.34898700 0.21596300 1.0 O O41 1 0.86487600 0.79741400 0.16828000 1.0 O O42 1 0.25750200 0.51595900 0.18841000 1.0 O O43 1 0.39324500 0.13285700 0.24780900 1.0 O O44 1 0.32349800 0.84898700 0.21596300 1.0 O O45 1 0.60675500 0.63285700 0.24780900 1.0 O O46 1 0.86301200 0.11490900 0.31437000 1.0 O O47 1 0.13698800 0.61490900 0.31437000 1.0 O O48 1 0.03735100 0.29235900 0.36086800 1.0 O O49 1 0.46736100 0.45813900 0.34436000 1.0 O O50 1 0.56680900 0.23264600 0.40113300 1.0 O O51 1 0.96264900 0.79235900 0.36086800 1.0 O O52 1 0.53263900 0.95813900 0.34436000 1.0 O O53 1 0.43319100 0.73264600 0.40113300 1.0 O O54 1 0.96762500 0.12582400 0.47507700 1.0 O O55 1 0.03237500 0.62582400 0.47507700 1.0 O O56 1 0.96762500 0.37417600 0.52492300 1.0 O O57 1 0.03237500 0.87417600 0.52492300 1.0 O O58 1 0.56680900 0.26735400 0.59886700 1.0 O O59 1 0.46736100 0.04186100 0.65564000 1.0 O O60 1 0.03735100 0.20764100 0.63913200 1.0 O O61 1 0.43319100 0.76735400 0.59886700 1.0 O O62 1 0.53263900 0.54186100 0.65564000 1.0 O O63 1 0.96264900 0.70764100 0.63913200 1.0 O O64 1 0.86301200 0.38509100 0.68563000 1.0 O O65 1 0.13698800 0.88509100 0.68563000 1.0 O O66 1 0.39324500 0.36714300 0.75219100 1.0 O O67 1 0.67650200 0.15101300 0.78403700 1.0 O O68 1 0.60675500 0.86714300 0.75219100 1.0 O O69 1 0.74249800 0.48404100 0.81159000 1.0 O O70 1 0.13512400 0.20258600 0.83172000 1.0 O O71 1 0.32349800 0.65101300 0.78403700 1.0 O O72 1 0.25750200 0.98404100 0.81159000 1.0 O O73 1 0.86487600 0.70258600 0.83172000 1.0 O O74 1 0.86874600 0.04720300 0.92328200 1.0 O O75 1 0.75979500 0.25307700 0.91824200 1.0 O O76 1 0.13125400 0.54720300 0.92328200 1.0 O O77 1 0.24020500 0.75307700 0.91824200 1.0 O O78 1 0.40844100 0.35827800 0.98452200 1.0 O O79 1 0.59155900 0.85827800 0.98452200 1.0