# generated using pymatgen data_Li2Fe(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15078700 _cell_length_b 9.23851000 _cell_length_c 13.74193800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe(PO4)2 _chemical_formula_sum 'Li16 Fe8 P16 O64' _cell_volume 1161.73845305 _cell_formula_units_Z 8 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 0.78349000 0.96040100 0.37316700 1.0 Li Li1 1 0.71651000 0.96040100 0.87316700 1.0 Li Li2 1 0.04560500 0.77405000 0.37416400 1.0 Li Li3 1 0.45439500 0.77405000 0.87416400 1.0 Li Li4 1 0.95439500 0.72595000 0.87416400 1.0 Li Li5 1 0.54560500 0.72595000 0.37416400 1.0 Li Li6 1 0.28349000 0.53959900 0.37316700 1.0 Li Li7 1 0.21651000 0.53959900 0.87316700 1.0 Li Li8 1 0.78349000 0.46040100 0.12683300 1.0 Li Li9 1 0.71651000 0.46040100 0.62683300 1.0 Li Li10 1 0.45439500 0.27405000 0.62583600 1.0 Li Li11 1 0.04560500 0.27405000 0.12583600 1.0 Li Li12 1 0.95439500 0.22595000 0.62583600 1.0 Li Li13 1 0.54560500 0.22595000 0.12583600 1.0 Li Li14 1 0.21651000 0.03959900 0.62683300 1.0 Li Li15 1 0.28349000 0.03959900 0.12683300 1.0 Fe Fe16 1 0.89515900 0.85981900 0.12531200 1.0 Fe Fe17 1 0.60484100 0.85981900 0.62531200 1.0 Fe Fe18 1 0.39515900 0.64018100 0.12531200 1.0 Fe Fe19 1 0.10484100 0.64018100 0.62531200 1.0 Fe Fe20 1 0.89515900 0.35981900 0.37468800 1.0 Fe Fe21 1 0.60484100 0.35981900 0.87468800 1.0 Fe Fe22 1 0.39515900 0.14018100 0.37468800 1.0 Fe Fe23 1 0.10484100 0.14018100 0.87468800 1.0 P P24 1 0.93339900 0.92588800 0.72263200 1.0 P P25 1 0.56660100 0.92588800 0.22263200 1.0 P P26 1 0.31331700 0.83881900 0.49033600 1.0 P P27 1 0.18668300 0.83881900 0.99033600 1.0 P P28 1 0.81331700 0.66118100 0.49033600 1.0 P P29 1 0.68668300 0.66118100 0.99033600 1.0 P P30 1 0.43339900 0.57411200 0.72263200 1.0 P P31 1 0.06660100 0.57411200 0.22263200 1.0 P P32 1 0.56660100 0.42588800 0.27736800 1.0 P P33 1 0.93339900 0.42588800 0.77736800 1.0 P P34 1 0.31331700 0.33881900 0.00966400 1.0 P P35 1 0.18668300 0.33881900 0.50966400 1.0 P P36 1 0.81331700 0.16118100 0.00966400 1.0 P P37 1 0.68668300 0.16118100 0.50966400 1.0 P P38 1 0.43339900 0.07411200 0.77736800 1.0 P P39 1 0.06660100 0.07411200 0.27736800 1.0 O O40 1 0.30050600 0.00547800 0.47447600 1.0 O O41 1 0.19949400 0.00547800 0.97447600 1.0 O O42 1 0.99933300 0.97707300 0.35448500 1.0 O O43 1 0.50066700 0.97707300 0.85448500 1.0 O O44 1 0.53354000 0.97951200 0.32905800 1.0 O O45 1 0.96646000 0.97951200 0.82905800 1.0 O O46 1 0.76271700 0.92141700 0.71984600 1.0 O O47 1 0.73728300 0.92141700 0.21984600 1.0 O O48 1 0.27583400 0.81186400 0.08475400 1.0 O O49 1 0.22416600 0.81186400 0.58475400 1.0 O O50 1 0.47597300 0.79805100 0.51054300 1.0 O O51 1 0.02402700 0.79805100 0.01054300 1.0 O O52 1 0.99544100 0.76883400 0.72009900 1.0 O O53 1 0.50455900 0.76883400 0.22009900 1.0 O O54 1 0.26087700 0.75323500 0.40242300 1.0 O O55 1 0.23912300 0.75323500 0.90242300 1.0 O O56 1 0.76087700 0.74676500 0.40242300 1.0 O O57 1 0.73912300 0.74676500 0.90242300 1.0 O O58 1 0.00455900 0.73116600 0.22009900 1.0 O O59 1 0.49544100 0.73116600 0.72009900 1.0 O O60 1 0.97597300 0.70194900 0.51054300 1.0 O O61 1 0.52402700 0.70194900 0.01054300 1.0 O O62 1 0.77583400 0.68813600 0.08475400 1.0 O O63 1 0.72416600 0.68813600 0.58475400 1.0 O O64 1 0.26271700 0.57858300 0.71984600 1.0 O O65 1 0.23728300 0.57858300 0.21984600 1.0 O O66 1 0.46646000 0.52048800 0.82905800 1.0 O O67 1 0.03354000 0.52048800 0.32905800 1.0 O O68 1 0.49933300 0.52292700 0.35448500 1.0 O O69 1 0.00066700 0.52292700 0.85448500 1.0 O O70 1 0.80050600 0.49452200 0.47447600 1.0 O O71 1 0.69949400 0.49452200 0.97447600 1.0 O O72 1 0.30050600 0.50547800 0.02552400 1.0 O O73 1 0.19949400 0.50547800 0.52552400 1.0 O O74 1 0.50066700 0.47707300 0.64551500 1.0 O O75 1 0.99933300 0.47707300 0.14551500 1.0 O O76 1 0.53354000 0.47951200 0.17094200 1.0 O O77 1 0.96646000 0.47951200 0.67094200 1.0 O O78 1 0.76271700 0.42141700 0.78015400 1.0 O O79 1 0.73728300 0.42141700 0.28015400 1.0 O O80 1 0.27583400 0.31186400 0.41524600 1.0 O O81 1 0.22416600 0.31186400 0.91524600 1.0 O O82 1 0.47597300 0.29805100 0.98945700 1.0 O O83 1 0.02402700 0.29805100 0.48945700 1.0 O O84 1 0.50455900 0.26883400 0.27990100 1.0 O O85 1 0.99544100 0.26883400 0.77990100 1.0 O O86 1 0.26087700 0.25323500 0.09757700 1.0 O O87 1 0.23912300 0.25323500 0.59757700 1.0 O O88 1 0.76087700 0.24676500 0.09757700 1.0 O O89 1 0.73912300 0.24676500 0.59757700 1.0 O O90 1 0.49544100 0.23116600 0.77990100 1.0 O O91 1 0.00455900 0.23116600 0.27990100 1.0 O O92 1 0.97597300 0.20194900 0.98945700 1.0 O O93 1 0.52402700 0.20194900 0.48945700 1.0 O O94 1 0.77583400 0.18813600 0.41524600 1.0 O O95 1 0.72416600 0.18813600 0.91524600 1.0 O O96 1 0.26271700 0.07858300 0.78015400 1.0 O O97 1 0.23728300 0.07858300 0.28015400 1.0 O O98 1 0.46646000 0.02048800 0.67094200 1.0 O O99 1 0.03354000 0.02048800 0.17094200 1.0 O O100 1 0.00066700 0.02292700 0.64551500 1.0 O O101 1 0.49933300 0.02292700 0.14551500 1.0 O O102 1 0.80050600 0.99452200 0.02552400 1.0 O O103 1 0.69949400 0.99452200 0.52552400 1.0