# generated using pymatgen data_Li8CrFe7(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65589900 _cell_length_b 8.78300342 _cell_length_c 12.21580650 _cell_angle_alpha 89.80513838 _cell_angle_beta 89.97854657 _cell_angle_gamma 89.96742172 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li8CrFe7(PO4)12 _chemical_formula_sum 'Li8 Cr1 Fe7 P12 O48' _cell_volume 928.69854428 _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 0.78303800 0.27791600 0.18184800 1.0 Li Li1 1 0.78230100 0.22318500 0.81768600 1.0 Li Li2 1 0.71726500 0.77720000 0.31892100 1.0 Li Li3 1 0.71719900 0.72232200 0.68212700 1.0 Li Li4 1 0.28293600 0.27701500 0.31780300 1.0 Li Li5 1 0.28325100 0.21979000 0.68061200 1.0 Li Li6 1 0.21673400 0.77736300 0.18241200 1.0 Li Li7 1 0.21710900 0.72249700 0.81856300 1.0 Cr Cr8 1 0.24854300 0.53921600 0.61416400 1.0 Fe Fe9 1 0.75188200 0.04087200 0.61317800 1.0 Fe Fe10 1 0.75106000 0.45884400 0.38685400 1.0 Fe Fe11 1 0.74913500 0.95919900 0.11290000 1.0 Fe Fe12 1 0.74906600 0.54108300 0.88750800 1.0 Fe Fe13 1 0.25040700 0.45940500 0.11150100 1.0 Fe Fe14 1 0.25132600 0.03999400 0.88760000 1.0 Fe Fe15 1 0.24882300 0.96066000 0.38693600 1.0 P P16 1 0.96265200 0.74884400 0.50011100 1.0 P P17 1 0.53916100 0.25011800 0.99995900 1.0 P P18 1 0.46077900 0.74988000 0.00056900 1.0 P P19 1 0.04031400 0.25255500 0.50045000 1.0 P P20 1 0.89469500 0.60728100 0.14698000 1.0 P P21 1 0.89420500 0.89294200 0.85299800 1.0 P P22 1 0.60349200 0.39583500 0.64647800 1.0 P P23 1 0.60613700 0.10721300 0.35347200 1.0 P P24 1 0.39448600 0.89031800 0.64545900 1.0 P P25 1 0.39367200 0.60632000 0.35552400 1.0 P P26 1 0.10570900 0.39301900 0.85026600 1.0 P P27 1 0.10546500 0.10761500 0.14680600 1.0 O O28 1 0.94397700 0.35975200 0.42927800 1.0 O O29 1 0.94464600 0.14517500 0.57290800 1.0 O O30 1 0.92653100 0.10479400 0.15611800 1.0 O O31 1 0.92747200 0.39647900 0.84149500 1.0 O O32 1 0.85786100 0.83401200 0.58278300 1.0 O O33 1 0.85404900 0.66105100 0.42196800 1.0 O O34 1 0.84455400 0.56588800 0.03066300 1.0 O O35 1 0.84409900 0.93407900 0.96940000 1.0 O O36 1 0.83828200 0.76785700 0.17996700 1.0 O O37 1 0.83811100 0.73212000 0.82026600 1.0 O O38 1 0.82553100 0.48625700 0.22609800 1.0 O O39 1 0.82541000 0.01455800 0.77384000 1.0 O O40 1 0.67409800 0.98598400 0.27441400 1.0 O O41 1 0.67163500 0.51566700 0.72521900 1.0 O O42 1 0.65508700 0.23326200 0.68020700 1.0 O O43 1 0.66262600 0.26798700 0.32030100 1.0 O O44 1 0.65093900 0.43400700 0.52908600 1.0 O O45 1 0.65692000 0.06520800 0.46994700 1.0 O O46 1 0.64733200 0.16253600 0.07994800 1.0 O O47 1 0.64760000 0.33773100 0.92040300 1.0 O O48 1 0.57307300 0.89188300 0.65578200 1.0 O O49 1 0.57184300 0.60437200 0.34713600 1.0 O O50 1 0.55644000 0.85760300 0.07144900 1.0 O O51 1 0.55620600 0.64227300 0.92902600 1.0 O O52 1 0.44318200 0.35732000 0.07153500 1.0 O O53 1 0.44336200 0.14279900 0.92857800 1.0 O O54 1 0.42191700 0.40150600 0.65431300 1.0 O O55 1 0.42716300 0.10478700 0.34383200 1.0 O O56 1 0.35292400 0.66222500 0.08067600 1.0 O O57 1 0.35236700 0.83681400 0.92033000 1.0 O O58 1 0.34430600 0.93307100 0.52966700 1.0 O O59 1 0.34216800 0.56647600 0.47363800 1.0 O O60 1 0.33631500 0.76701100 0.32224900 1.0 O O61 1 0.33626800 0.72814800 0.67773000 1.0 O O62 1 0.32387600 0.48490400 0.27784200 1.0 O O63 1 0.32506300 0.00928600 0.72548000 1.0 O O64 1 0.17420900 0.98659800 0.22618200 1.0 O O65 1 0.17413400 0.51439200 0.76826400 1.0 O O66 1 0.16184800 0.26868500 0.17901400 1.0 O O67 1 0.16422900 0.23260500 0.81817500 1.0 O O68 1 0.15915100 0.43866400 0.96499300 1.0 O O69 1 0.15575400 0.06645300 0.03042100 1.0 O O70 1 0.14978300 0.34070500 0.57944200 1.0 O O71 1 0.14968600 0.16474200 0.42184400 1.0 O O72 1 0.07328600 0.89545700 0.84384400 1.0 O O73 1 0.07380000 0.60412600 0.15571600 1.0 O O74 1 0.05800400 0.85672200 0.42920800 1.0 O O75 1 0.06203600 0.63746700 0.56964000 1.0