# generated using pymatgen data_Li8NbFe7(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69151000 _cell_length_b 8.81186566 _cell_length_c 12.23817032 _cell_angle_alpha 90.13394830 _cell_angle_beta 90.10039034 _cell_angle_gamma 90.10449558 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li8NbFe7(PO4)12 _chemical_formula_sum 'Li8 Nb1 Fe7 P12 O48' _cell_volume 937.29654372 _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 0.21722200 0.72285200 0.18161500 1.0 Li Li1 1 0.21808500 0.77800200 0.81877600 1.0 Li Li2 1 0.28269600 0.22246700 0.31788300 1.0 Li Li3 1 0.28218600 0.27706300 0.68271600 1.0 Li Li4 1 0.71653200 0.72495100 0.31640100 1.0 Li Li5 1 0.71737100 0.78474200 0.68247100 1.0 Li Li6 1 0.78399200 0.22193000 0.18140500 1.0 Li Li7 1 0.78532500 0.27514800 0.82450400 1.0 Nb Nb8 1 0.75307800 0.46153900 0.61312300 1.0 Fe Fe9 1 0.24841100 0.96022200 0.61288200 1.0 Fe Fe10 1 0.24863700 0.54174100 0.38644200 1.0 Fe Fe11 1 0.25104400 0.04102500 0.11284000 1.0 Fe Fe12 1 0.25154200 0.45872700 0.88785400 1.0 Fe Fe13 1 0.74887100 0.54135600 0.11239400 1.0 Fe Fe14 1 0.74812900 0.96005400 0.88909900 1.0 Fe Fe15 1 0.75081100 0.03817500 0.38663100 1.0 P P16 1 0.04430800 0.24575500 0.49664500 1.0 P P17 1 0.46129100 0.74976300 0.00034700 1.0 P P18 1 0.53916500 0.25030900 0.00073400 1.0 P P19 1 0.96333800 0.75349000 0.49757700 1.0 P P20 1 0.10519200 0.39268400 0.14694500 1.0 P P21 1 0.10575400 0.10677900 0.85314800 1.0 P P22 1 0.38990500 0.60625600 0.64672100 1.0 P P23 1 0.39407300 0.89322900 0.35347400 1.0 P P24 1 0.60291200 0.10286200 0.64608200 1.0 P P25 1 0.60303500 0.39189900 0.34923200 1.0 P P26 1 0.89713200 0.60962500 0.85472600 1.0 P P27 1 0.89491400 0.89259000 0.14705100 1.0 O O28 1 0.05599300 0.64071800 0.43030300 1.0 O O29 1 0.05496600 0.85764700 0.57204200 1.0 O O30 1 0.07323600 0.89582500 0.15588200 1.0 O O31 1 0.07337100 0.60492200 0.84314900 1.0 O O32 1 0.14559200 0.16431800 0.58115800 1.0 O O33 1 0.14772600 0.33837600 0.42000400 1.0 O O34 1 0.15468500 0.43419700 0.03054500 1.0 O O35 1 0.15557200 0.06626900 0.96951800 1.0 O O36 1 0.16193600 0.23257300 0.17940100 1.0 O O37 1 0.16158100 0.26771800 0.82068100 1.0 O O38 1 0.17375700 0.51430800 0.22535300 1.0 O O39 1 0.17405100 0.98608600 0.77441800 1.0 O O40 1 0.32592900 0.01370900 0.27428500 1.0 O O41 1 0.32577300 0.48529300 0.72543200 1.0 O O42 1 0.34017700 0.76749400 0.68042500 1.0 O O43 1 0.33704900 0.73264800 0.32018800 1.0 O O44 1 0.34657100 0.56692100 0.52923700 1.0 O O45 1 0.34401900 0.93473300 0.46971200 1.0 O O46 1 0.35259200 0.83744000 0.07926100 1.0 O O47 1 0.35291100 0.66191200 0.92107900 1.0 O O48 1 0.42689400 0.10728400 0.65713500 1.0 O O49 1 0.42681500 0.39424100 0.34512200 1.0 O O50 1 0.44324400 0.14274100 0.07106100 1.0 O O51 1 0.44390400 0.35742900 0.92929400 1.0 O O52 1 0.55670900 0.64299500 0.07157800 1.0 O O53 1 0.55677000 0.85694600 0.92920700 1.0 O O54 1 0.57266600 0.60076000 0.65544900 1.0 O O55 1 0.57227500 0.89589200 0.34393900 1.0 O O56 1 0.64690600 0.33838900 0.08031400 1.0 O O57 1 0.64708600 0.16286300 0.92112600 1.0 O O58 1 0.65511800 0.06789600 0.53010500 1.0 O O59 1 0.65688400 0.42989900 0.47126400 1.0 O O60 1 0.66359500 0.23309800 0.32042000 1.0 O O61 1 0.66360600 0.26847200 0.67788900 1.0 O O62 1 0.67552500 0.51544400 0.27726100 1.0 O O63 1 0.67512500 0.98863700 0.72628700 1.0 O O64 1 0.82615600 0.01331100 0.22578800 1.0 O O65 1 0.82780900 0.48639400 0.77227400 1.0 O O66 1 0.83824400 0.73203500 0.17921700 1.0 O O67 1 0.83617300 0.76642100 0.81919900 1.0 O O68 1 0.84298800 0.56390900 0.96815000 1.0 O O69 1 0.84496500 0.93314900 0.03065800 1.0 O O70 1 0.85233800 0.65956900 0.57799200 1.0 O O71 1 0.84975900 0.83617300 0.42147500 1.0 O O72 1 0.92707800 0.10412400 0.84455400 1.0 O O73 1 0.92677300 0.39570500 0.15559900 1.0 O O74 1 0.94280900 0.14090000 0.42935000 1.0 O O75 1 0.93934700 0.35698600 0.56650500 1.0