# generated using pymatgen data_Li9Fe7(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68159200 _cell_length_b 8.81746026 _cell_length_c 12.25038897 _cell_angle_alpha 90.11535780 _cell_angle_beta 90.10387751 _cell_angle_gamma 90.01395119 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Fe7(PO4)12 _chemical_formula_sum 'Li9 Fe7 P12 O48' _cell_volume 937.75881296 _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 0.78277700 0.72226300 0.81811900 1.0 Li Li1 1 0.78342600 0.77872100 0.18150700 1.0 Li Li2 1 0.71681700 0.22135700 0.68240200 1.0 Li Li3 1 0.71560100 0.27883500 0.31856700 1.0 Li Li4 1 0.28334500 0.72142200 0.68068700 1.0 Li Li5 1 0.28123800 0.76869800 0.31833900 1.0 Li Li6 1 0.25169200 0.46210400 0.38356200 1.0 Li Li7 1 0.21564500 0.22191000 0.81920700 1.0 Li Li8 1 0.21716100 0.27923600 0.18631000 1.0 Fe Fe9 1 0.75048200 0.96190600 0.38642600 1.0 Fe Fe10 1 0.75206600 0.54128500 0.61330900 1.0 Fe Fe11 1 0.74897300 0.04085800 0.88706500 1.0 Fe Fe12 1 0.74896900 0.45880600 0.11203700 1.0 Fe Fe13 1 0.25099700 0.54067900 0.88623200 1.0 Fe Fe14 1 0.25101400 0.95885100 0.11405300 1.0 Fe Fe15 1 0.24945900 0.04028200 0.61321900 1.0 P P16 1 0.89431800 0.39314200 0.85280900 1.0 P P17 1 0.89465800 0.10761900 0.14758100 1.0 P P18 1 0.60756400 0.61059300 0.35356700 1.0 P P19 1 0.60599900 0.89294200 0.64621400 1.0 P P20 1 0.39485600 0.10046200 0.35184900 1.0 P P21 1 0.39386700 0.39240500 0.64934000 1.0 P P22 1 0.10493800 0.60841000 0.14362300 1.0 P P23 1 0.10625600 0.89296000 0.85299300 1.0 P P24 1 0.95933500 0.24781000 0.50181800 1.0 P P25 1 0.53961300 0.74999000 0.99956100 1.0 P P26 1 0.46023100 0.24976100 0.00058000 1.0 P P27 1 0.03654300 0.75255700 0.50154700 1.0 O O28 1 0.94094200 0.64616800 0.57272900 1.0 O O29 1 0.94128200 0.85978000 0.42844800 1.0 O O30 1 0.92772700 0.89557100 0.84435100 1.0 O O31 1 0.92647000 0.60510600 0.15367300 1.0 O O32 1 0.85242300 0.16063400 0.41927800 1.0 O O33 1 0.85186600 0.33697700 0.57959100 1.0 O O34 1 0.84370700 0.43449200 0.96902900 1.0 O O35 1 0.84362400 0.06539000 0.03162600 1.0 O O36 1 0.83758800 0.23259400 0.82013100 1.0 O O37 1 0.83741400 0.26789800 0.18026500 1.0 O O38 1 0.82554900 0.51354800 0.77390800 1.0 O O39 1 0.82558900 0.98610500 0.22763200 1.0 O O40 1 0.67423700 0.01298200 0.72552400 1.0 O O41 1 0.67694900 0.48984800 0.27447500 1.0 O O42 1 0.67037900 0.77120300 0.32161200 1.0 O O43 1 0.66139900 0.73221500 0.67918200 1.0 O O44 1 0.65676900 0.56734200 0.46990200 1.0 O O45 1 0.65666900 0.93497100 0.52917500 1.0 O O46 1 0.64753100 0.83738100 0.92060300 1.0 O O47 1 0.64726700 0.66276300 0.07928400 1.0 O O48 1 0.57503000 0.10046000 0.34464100 1.0 O O49 1 0.57218700 0.39597200 0.65670500 1.0 O O50 1 0.55622400 0.14284400 0.92922400 1.0 O O51 1 0.55654400 0.35703200 0.07150700 1.0 O O52 1 0.44383800 0.64238000 0.92845500 1.0 O O53 1 0.44352400 0.85720300 0.07045200 1.0 O O54 1 0.43239400 0.61093200 0.34319800 1.0 O O55 1 0.42770400 0.89553800 0.65460400 1.0 O O56 1 0.35219100 0.33711000 0.92118400 1.0 O O57 1 0.35248700 0.16281300 0.07990500 1.0 O O58 1 0.34321500 0.06302000 0.46872400 1.0 O O59 1 0.34286900 0.43588700 0.53307900 1.0 O O60 1 0.33839300 0.23181100 0.68068600 1.0 O O61 1 0.34106300 0.25978500 0.32007400 1.0 O O62 1 0.32486500 0.51250800 0.72806100 1.0 O O63 1 0.32749500 0.97771000 0.27416300 1.0 O O64 1 0.17416200 0.01336900 0.77407800 1.0 O O65 1 0.17275600 0.48720900 0.21968400 1.0 O O66 1 0.16267000 0.73283800 0.81946300 1.0 O O67 1 0.15992100 0.76837600 0.17743900 1.0 O O68 1 0.15361200 0.57052100 0.02640500 1.0 O O69 1 0.15734000 0.93495600 0.96898400 1.0 O O70 1 0.14269200 0.66743300 0.42135900 1.0 O O71 1 0.14481900 0.83914900 0.58125900 1.0 O O72 1 0.07281700 0.10466100 0.15636800 1.0 O O73 1 0.07244100 0.39537700 0.84350700 1.0 O O74 1 0.05549200 0.14116400 0.57286800 1.0 O O75 1 0.05803100 0.35310600 0.43098700 1.0