# generated using pymatgen data_LiFeSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.34728200 _cell_length_b 10.34728200 _cell_length_c 17.29286117 _cell_angle_alpha 69.98702783 _cell_angle_beta 69.98702783 _cell_angle_gamma 57.38433276 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeSiO4 _chemical_formula_sum 'Li16 Fe16 Si16 O64' _cell_volume 1435.93157804 _cell_formula_units_Z 16 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 0.37177500 0.42484400 0.18470900 1.0 Li Li1 1 0.92284300 0.35754100 0.68799000 1.0 Li Li2 1 0.18666900 0.27880900 0.43386000 1.0 Li Li3 1 0.61047000 0.77591500 0.43688500 1.0 Li Li4 1 0.27775000 0.68717000 0.93416300 1.0 Li Li5 1 0.77643200 0.11054300 0.93689100 1.0 Li Li6 1 0.88160800 0.49779200 0.18675200 1.0 Li Li7 1 0.35754100 0.92284300 0.18799000 1.0 Li Li8 1 0.99964600 0.87024900 0.68802600 1.0 Li Li9 1 0.42484400 0.37177500 0.68470900 1.0 Li Li10 1 0.68717000 0.27775000 0.43416300 1.0 Li Li11 1 0.11054300 0.77643200 0.43689100 1.0 Li Li12 1 0.27880900 0.18666900 0.93386000 1.0 Li Li13 1 0.77591500 0.61047000 0.93688500 1.0 Li Li14 1 0.87024900 0.99964600 0.18802600 1.0 Li Li15 1 0.49779200 0.88160800 0.68675200 1.0 Fe Fe16 1 0.05326100 0.69789800 0.12166300 1.0 Fe Fe17 1 0.55011900 0.12512300 0.12130300 1.0 Fe Fe18 1 0.19860700 0.04656900 0.61891300 1.0 Fe Fe19 1 0.62379400 0.55899700 0.62584400 1.0 Fe Fe20 1 0.88023900 0.44134500 0.37696900 1.0 Fe Fe21 1 0.31196600 0.93953200 0.37642900 1.0 Fe Fe22 1 0.44125400 0.37880200 0.87555800 1.0 Fe Fe23 1 0.94120700 0.81131800 0.87787900 1.0 Fe Fe24 1 0.04656900 0.19860700 0.11891300 1.0 Fe Fe25 1 0.55899700 0.62379400 0.12584400 1.0 Fe Fe26 1 0.69789800 0.05326100 0.62166300 1.0 Fe Fe27 1 0.12512300 0.55011900 0.62130300 1.0 Fe Fe28 1 0.37880200 0.44125400 0.37555800 1.0 Fe Fe29 1 0.81131800 0.94120700 0.37787900 1.0 Fe Fe30 1 0.44134500 0.88023900 0.87696900 1.0 Fe Fe31 1 0.93953200 0.31196600 0.87642900 1.0 Si Si32 1 0.50074000 0.12678600 0.31305500 1.0 Si Si33 1 0.62655700 0.57256100 0.81108200 1.0 Si Si34 1 0.12934200 0.00020600 0.81236900 1.0 Si Si35 1 0.22833300 0.39221800 0.06038400 1.0 Si Si36 1 0.73327400 0.81138900 0.06336100 1.0 Si Si37 1 0.88928800 0.23253400 0.56166700 1.0 Si Si38 1 0.31363200 0.72976300 0.56242600 1.0 Si Si39 1 0.57256100 0.62655700 0.31108200 1.0 Si Si40 1 0.00020600 0.12934200 0.31236900 1.0 Si Si41 1 0.63244200 0.07258900 0.80982200 1.0 Si Si42 1 0.12678600 0.50074000 0.81305500 1.0 Si Si43 1 0.23253400 0.88928800 0.06166700 1.0 Si Si44 1 0.72976300 0.31363200 0.06242600 1.0 Si Si45 1 0.39221800 0.22833300 0.56038400 1.0 Si Si46 1 0.81138900 0.73327400 0.56336100 1.0 Si Si47 1 0.07258900 0.63244200 0.30982200 1.0 O O48 1 0.60085800 0.00127800 0.38735600 1.0 O O49 1 0.69258600 0.19440900 0.04088400 1.0 O O50 1 0.14812100 0.57898800 0.21773100 1.0 O O51 1 0.61240700 0.07239200 0.22334300 1.0 O O52 1 0.18813400 0.57737700 0.03670300 1.0 O O53 1 0.34699300 0.29701700 0.12795600 1.0 O O54 1 0.02486200 0.49837400 0.37715900 1.0 O O55 1 0.00179400 0.10085900 0.88630400 1.0 O O56 1 0.69146500 0.69816700 0.54056000 1.0 O O57 1 0.57490700 0.64830600 0.71854800 1.0 O O58 1 0.07124500 0.10808300 0.72259600 1.0 O O59 1 0.85601000 0.71867700 0.12901100 1.0 O O60 1 0.07402000 0.19454400 0.53781400 1.0 O O61 1 0.33427500 0.12097200 0.34304000 1.0 O O62 1 0.79126300 0.35222300 0.62912400 1.0 O O63 1 0.56385800 0.94619900 0.10548500 1.0 O O64 1 0.49219600 0.52620900 0.87854500 1.0 O O65 1 0.69886800 0.62853400 0.34802700 1.0 O O66 1 0.21569000 0.85079900 0.62858100 1.0 O O67 1 0.39288300 0.81223600 0.47512400 1.0 O O68 1 0.12389400 0.83310500 0.84301000 1.0 O O69 1 0.95521200 0.31438400 0.29803600 1.0 O O70 1 0.42525000 0.80531900 0.29738400 1.0 O O71 1 0.81799100 0.31794700 0.47559900 1.0 O O72 1 0.06554700 0.37898100 0.10238900 1.0 O O73 1 0.45109400 0.56553600 0.60627200 1.0 O O74 1 0.63133400 0.19826800 0.84909900 1.0 O O75 1 0.81250600 0.89338900 0.97565400 1.0 O O76 1 0.10085900 0.00179400 0.38630400 1.0 O O77 1 0.69816700 0.69146500 0.04056000 1.0 O O78 1 0.64830600 0.57490700 0.21854800 1.0 O O79 1 0.10808300 0.07124500 0.22259600 1.0 O O80 1 0.81376800 0.92797200 0.79507000 1.0 O O81 1 0.31333600 0.45035500 0.79800100 1.0 O O82 1 0.88200500 0.06659200 0.60215500 1.0 O O83 1 0.31624100 0.31908300 0.97475300 1.0 O O84 1 0.19454400 0.07402000 0.03781400 1.0 O O85 1 0.35222300 0.79126300 0.12912400 1.0 O O86 1 0.00127800 0.60085800 0.88735600 1.0 O O87 1 0.52620900 0.49219600 0.37854500 1.0 O O88 1 0.19440900 0.69258600 0.54088400 1.0 O O89 1 0.57898800 0.14812100 0.71773100 1.0 O O90 1 0.07239200 0.61240700 0.72334300 1.0 O O91 1 0.85079900 0.21568900 0.12858100 1.0 O O92 1 0.83310500 0.12389400 0.34301000 1.0 O O93 1 0.57737700 0.18813400 0.53670300 1.0 O O94 1 0.56553600 0.45109400 0.10627200 1.0 O O95 1 0.29701700 0.34699300 0.62795600 1.0 O O96 1 0.49837400 0.02486200 0.87715900 1.0 O O97 1 0.19826800 0.63133400 0.34909900 1.0 O O98 1 0.71867700 0.85601000 0.62901100 1.0 O O99 1 0.89338900 0.81250600 0.47565400 1.0 O O100 1 0.12097200 0.33427500 0.84304000 1.0 O O101 1 0.92797200 0.81376800 0.29507000 1.0 O O102 1 0.45035500 0.31333600 0.29800100 1.0 O O103 1 0.06659200 0.88200500 0.10215500 1.0 O O104 1 0.31908300 0.31624100 0.47475300 1.0 O O105 1 0.94619900 0.56385800 0.60548500 1.0 O O106 1 0.62853400 0.69886800 0.84802700 1.0 O O107 1 0.81223600 0.39288300 0.97512400 1.0 O O108 1 0.31438400 0.95521200 0.79803600 1.0 O O109 1 0.80532000 0.42525000 0.79738400 1.0 O O110 1 0.31794700 0.81799100 0.97559900 1.0 O O111 1 0.37898100 0.06554700 0.60238900 1.0