# generated using pymatgen data_Li9Mg12Fe(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17130300 _cell_length_b 11.31850701 _cell_length_c 12.67547904 _cell_angle_alpha 109.23542452 _cell_angle_beta 93.96337603 _cell_angle_gamma 92.50930123 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li9Mg12Fe(PO4)12 _chemical_formula_sum 'Li9 Mg12 Fe1 P12 O48' _cell_volume 1101.46237067 _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 0.02156100 0.92770300 0.02114100 1.0 Li Li1 1 0.46793500 0.99521700 0.07770100 1.0 Li Li2 1 0.96296400 0.75594400 0.69137000 1.0 Li Li3 1 0.57252000 0.61836400 0.53003000 1.0 Li Li4 1 0.34372600 0.17254900 0.77876900 1.0 Li Li5 1 0.02116800 0.17202100 0.64275100 1.0 Li Li6 1 0.47783100 0.31756100 0.34305200 1.0 Li Li7 1 0.53704400 0.52535400 0.95231200 1.0 Li Li8 1 0.06242900 0.50745400 0.15340200 1.0 Mg Mg9 1 0.78041600 0.70317900 0.06935500 1.0 Mg Mg10 1 0.27547400 0.68235900 0.80745100 1.0 Mg Mg11 1 0.75611200 0.02401200 0.87100300 1.0 Mg Mg12 1 0.70583600 0.30948100 0.74585000 1.0 Mg Mg13 1 0.19690600 0.93233000 0.58531400 1.0 Mg Mg14 1 0.06741500 0.40830200 0.35957400 1.0 Mg Mg15 1 0.07116700 0.45886900 0.63071800 1.0 Mg Mg16 1 0.68776100 0.10445200 0.43645700 1.0 Mg Mg17 1 0.44840500 0.76958000 0.20969400 1.0 Mg Mg18 1 0.11514400 0.18228300 0.01495100 1.0 Mg Mg19 1 0.79778600 0.12673500 0.15155200 1.0 Mg Mg20 1 0.20451900 0.42800900 0.93014000 1.0 Fe Fe21 1 0.93516000 0.73394800 0.33618700 1.0 P P22 1 0.15629900 0.70469600 0.00680600 1.0 P P23 1 0.76084400 0.35410400 0.49069800 1.0 P P24 1 0.43951500 0.34465800 0.10227600 1.0 P P25 1 0.31317500 0.37482200 0.72424200 1.0 P P26 1 0.79988700 0.97811700 0.63856500 1.0 P P27 1 0.75046900 0.93821900 0.23781300 1.0 P P28 1 0.34770700 0.98009400 0.84013900 1.0 P P29 1 0.27514000 0.11394000 0.43124200 1.0 P P30 1 0.74498600 0.50260700 0.25613100 1.0 P P31 1 0.66183700 0.73174000 0.81763400 1.0 P P32 1 0.25280800 0.67008900 0.39492500 1.0 P P33 1 0.82896400 0.32065400 0.95107900 1.0 O O34 1 0.55368700 0.66558200 0.08696000 1.0 O O35 1 0.98170300 0.75419700 0.01281300 1.0 O O36 1 0.67976600 0.66257000 0.89807200 1.0 O O37 1 0.24197500 0.86605100 0.84126500 1.0 O O38 1 0.18329500 0.29467300 0.77200400 1.0 O O39 1 0.51076800 0.69966100 0.73680600 1.0 O O40 1 0.08398000 0.62992700 0.70746800 1.0 O O41 1 0.86090800 0.38621900 0.18324900 1.0 O O42 1 0.17740100 0.24036500 0.43912700 1.0 O O43 1 0.91604800 0.07831700 0.01218900 1.0 O O44 1 0.52472100 0.97942100 0.89642500 1.0 O O45 1 0.76757000 0.43091000 0.91623000 1.0 O O46 1 0.79452200 0.82775000 0.81645900 1.0 O O47 1 0.46950400 0.29675700 0.72215700 1.0 O O48 1 0.91226700 0.34873600 0.68066400 1.0 O O49 1 0.27086300 0.10467800 0.90567800 1.0 O O50 1 0.76247000 0.40302800 0.63589700 1.0 O O51 1 0.35772300 0.98682000 0.71874200 1.0 O O52 1 0.99311000 0.97713200 0.65645800 1.0 O O53 1 0.34401000 0.63532800 0.48617000 1.0 O O54 1 0.20646000 0.07834400 0.52829400 1.0 O O55 1 0.26123900 0.32888300 0.39486900 1.0 O O56 1 0.93744300 0.41618200 0.48556300 1.0 O O57 1 0.77673700 0.19874500 0.84710800 1.0 O O58 1 0.25794200 0.81868800 0.12339700 1.0 O O59 1 0.78601500 0.73335200 0.55782500 1.0 O O60 1 0.35905600 0.70390800 0.31440400 1.0 O O61 1 0.77102200 0.08022900 0.57818000 1.0 O O62 1 0.62631800 0.43468500 0.46548300 1.0 O O63 1 0.45861300 0.14952200 0.43780900 1.0 O O64 1 0.13863600 0.78525900 0.44597600 1.0 O O65 1 0.11360600 0.56472400 0.32302200 1.0 O O66 1 0.83004600 0.07275100 0.30160600 1.0 O O67 1 0.87045000 0.83434700 0.23605700 1.0 O O68 1 0.54782500 0.44607600 0.20542100 1.0 O O69 1 0.54830800 0.22402200 0.07097400 1.0 O O70 1 0.15297900 0.58750900 0.04909100 1.0 O O71 1 0.60039000 0.92237000 0.30199200 1.0 O O72 1 0.24638900 0.94251100 0.10976800 1.0 O O73 1 0.74231200 0.84396100 0.52759200 1.0 O O74 1 0.34459200 0.50252500 0.83242700 1.0 O O75 1 0.90407200 0.29609900 0.24210800 1.0 O O76 1 0.55794700 0.17605400 0.16934400 1.0 O O77 1 0.81286400 0.59169100 0.19288700 1.0 O O78 1 0.70313800 0.93157100 0.11541300 1.0 O O79 1 0.27527100 0.31495700 0.14122100 1.0 O O80 1 0.02093000 0.33343500 0.98173100 1.0 O O81 1 0.42219600 0.38336600 0.99861200 1.0