# generated using pymatgen data_Li2P3NO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.71335600 _cell_length_b 12.46490200 _cell_length_c 13.24153600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2P3NO9 _chemical_formula_sum 'Li16 P24 N8 O72' _cell_volume 1768.28706691 _cell_formula_units_Z 8 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 0.08259700 0.66749200 0.18117500 1.0 Li Li1 1 0.91740300 0.16749200 0.31882500 1.0 Li Li2 1 0.41740300 0.33250800 0.68117500 1.0 Li Li3 1 0.58259700 0.83250800 0.81882500 1.0 Li Li4 1 0.91740300 0.33250800 0.81882500 1.0 Li Li5 1 0.08259700 0.83250800 0.68117500 1.0 Li Li6 1 0.58259700 0.66749200 0.31882500 1.0 Li Li7 1 0.41740300 0.16749200 0.18117500 1.0 Li Li8 1 0.40665400 0.83268500 0.32307500 1.0 Li Li9 1 0.59334600 0.33268500 0.17692500 1.0 Li Li10 1 0.09334600 0.16731500 0.82307500 1.0 Li Li11 1 0.90665400 0.66731500 0.67692500 1.0 Li Li12 1 0.59334600 0.16731500 0.67692500 1.0 Li Li13 1 0.40665400 0.66731500 0.82307500 1.0 Li Li14 1 0.90665400 0.83268500 0.17692500 1.0 Li Li15 1 0.09334600 0.33268500 0.32307500 1.0 P P16 1 0.31182100 0.41133500 0.19517500 1.0 P P17 1 0.68817900 0.91133500 0.30482500 1.0 P P18 1 0.18817900 0.58866500 0.69517500 1.0 P P19 1 0.81182100 0.08866500 0.80482500 1.0 P P20 1 0.68817900 0.58866500 0.80482500 1.0 P P21 1 0.31182100 0.08866500 0.69517500 1.0 P P22 1 0.81182100 0.41133500 0.30482500 1.0 P P23 1 0.18817900 0.91133500 0.19517500 1.0 P P24 1 0.25540300 0.54759700 0.01477700 1.0 P P25 1 0.74459700 0.04759700 0.48522300 1.0 P P26 1 0.24459700 0.45240300 0.51477700 1.0 P P27 1 0.75540300 0.95240300 0.98522300 1.0 P P28 1 0.74459700 0.45240300 0.98522300 1.0 P P29 1 0.25540300 0.95240300 0.51477700 1.0 P P30 1 0.75540300 0.54759700 0.48522300 1.0 P P31 1 0.24459700 0.04759700 0.01477700 1.0 P P32 1 0.29713200 0.59236900 0.34060900 1.0 P P33 1 0.70286800 0.09236900 0.15939100 1.0 P P34 1 0.20286800 0.40763100 0.84060900 1.0 P P35 1 0.79713200 0.90763100 0.65939100 1.0 P P36 1 0.70286800 0.40763100 0.65939100 1.0 P P37 1 0.29713200 0.90763100 0.84060900 1.0 P P38 1 0.79713200 0.59236900 0.15939100 1.0 P P39 1 0.20286800 0.09236900 0.34060900 1.0 N N40 1 0.99522400 0.75826100 0.42842900 1.0 N N41 1 0.00477600 0.25826100 0.07157100 1.0 N N42 1 0.50477600 0.24173900 0.92842900 1.0 N N43 1 0.49522400 0.74173900 0.57157100 1.0 N N44 1 0.00477600 0.24173900 0.57157100 1.0 N N45 1 0.99522400 0.74173900 0.92842900 1.0 N N46 1 0.49522400 0.75826100 0.07157100 1.0 N N47 1 0.50477600 0.25826100 0.42842900 1.0 O O48 1 0.08913800 0.82715700 0.18356600 1.0 O O49 1 0.91086200 0.32715700 0.31643400 1.0 O O50 1 0.41086200 0.17284300 0.68356600 1.0 O O51 1 0.58913800 0.67284300 0.81643400 1.0 O O52 1 0.91086200 0.17284300 0.81643400 1.0 O O53 1 0.08913800 0.67284300 0.68356600 1.0 O O54 1 0.58913800 0.82715700 0.31643400 1.0 O O55 1 0.41086200 0.32715700 0.18356600 1.0 O O56 1 0.32176200 0.87833100 0.19949900 1.0 O O57 1 0.67823800 0.37833100 0.30050100 1.0 O O58 1 0.17823800 0.12166900 0.69949900 1.0 O O59 1 0.82176200 0.62166900 0.80050100 1.0 O O60 1 0.67823800 0.12166900 0.80050100 1.0 O O61 1 0.32176200 0.62166900 0.69949900 1.0 O O62 1 0.82176200 0.87833100 0.30050100 1.0 O O63 1 0.17823800 0.37833100 0.19949900 1.0 O O64 1 0.16473800 0.00080100 0.10761300 1.0 O O65 1 0.83526200 0.50080100 0.39238700 1.0 O O66 1 0.33526200 0.99919900 0.60761300 1.0 O O67 1 0.66473800 0.49919900 0.89238700 1.0 O O68 1 0.83526200 0.99919900 0.89238700 1.0 O O69 1 0.16473800 0.49919900 0.60761300 1.0 O O70 1 0.66473800 0.00080100 0.39238700 1.0 O O71 1 0.33526200 0.50080100 0.10761300 1.0 O O72 1 0.15084300 0.97997900 0.29461900 1.0 O O73 1 0.84915700 0.47997900 0.20538100 1.0 O O74 1 0.34915700 0.02002100 0.79461900 1.0 O O75 1 0.65084300 0.52002100 0.70538100 1.0 O O76 1 0.84915700 0.02002100 0.70538100 1.0 O O77 1 0.15084300 0.52002100 0.79461900 1.0 O O78 1 0.65084300 0.97997900 0.20538100 1.0 O O79 1 0.34915700 0.47997900 0.29461900 1.0 O O80 1 0.34247300 0.89008000 0.44867800 1.0 O O81 1 0.65752700 0.39008000 0.05132200 1.0 O O82 1 0.15752700 0.10992000 0.94867800 1.0 O O83 1 0.84247300 0.60992000 0.55132200 1.0 O O84 1 0.65752700 0.10992000 0.55132200 1.0 O O85 1 0.34247300 0.60992000 0.94867800 1.0 O O86 1 0.84247300 0.89008000 0.05132200 1.0 O O87 1 0.15752700 0.39008000 0.44867800 1.0 O O88 1 0.14257900 0.60591800 0.05439800 1.0 O O89 1 0.85742100 0.10591800 0.44560200 1.0 O O90 1 0.35742100 0.39408200 0.55439800 1.0 O O91 1 0.64257900 0.89408200 0.94560200 1.0 O O92 1 0.85742100 0.39408200 0.94560200 1.0 O O93 1 0.14257900 0.89408200 0.55439800 1.0 O O94 1 0.64257900 0.60591800 0.44560200 1.0 O O95 1 0.35742100 0.10591800 0.05439800 1.0 O O96 1 0.28898600 0.56181300 0.45949800 1.0 O O97 1 0.71101400 0.06181300 0.04050200 1.0 O O98 1 0.21101400 0.43818700 0.95949800 1.0 O O99 1 0.78898600 0.93818700 0.54050200 1.0 O O100 1 0.71101400 0.43818700 0.54050200 1.0 O O101 1 0.28898600 0.93818700 0.95949800 1.0 O O102 1 0.78898600 0.56181300 0.04050200 1.0 O O103 1 0.21101400 0.06181300 0.45949800 1.0 O O104 1 0.16989400 0.61826900 0.30143400 1.0 O O105 1 0.83010600 0.11826900 0.19856600 1.0 O O106 1 0.33010600 0.38173100 0.80143400 1.0 O O107 1 0.66989400 0.88173100 0.69856600 1.0 O O108 1 0.83010600 0.38173100 0.69856600 1.0 O O109 1 0.16989400 0.88173100 0.80143400 1.0 O O110 1 0.66989400 0.61826900 0.19856600 1.0 O O111 1 0.33010600 0.11826900 0.30143400 1.0 O O112 1 0.39824800 0.67435000 0.32931700 1.0 O O113 1 0.60175200 0.17435000 0.17068300 1.0 O O114 1 0.10175200 0.32565000 0.82931700 1.0 O O115 1 0.89824800 0.82565000 0.67068300 1.0 O O116 1 0.60175200 0.32565000 0.67068300 1.0 O O117 1 0.39824800 0.82565000 0.82931700 1.0 O O118 1 0.89824800 0.67435000 0.17068300 1.0 O O119 1 0.10175200 0.17435000 0.32931700 1.0