# generated using pymatgen data_Li2Fe(Si2O5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.28237579 _cell_length_b 11.28237579 _cell_length_c 10.02960500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.05371819 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe(Si2O5)3 _chemical_formula_sum 'Li8 Fe4 Si24 O60' _cell_volume 1257.08434288 _cell_formula_units_Z 4 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 0.99446900 0.50553100 0.75000000 1.0 Li Li1 1 0.24732900 0.24732900 0.50000000 1.0 Li Li2 1 0.25267100 0.25267100 0.00000000 1.0 Li Li3 1 0.49446900 0.00553100 0.75000000 1.0 Li Li4 1 0.50553100 0.99446900 0.25000000 1.0 Li Li5 1 0.74732900 0.74732900 0.00000000 1.0 Li Li6 1 0.75267100 0.75267100 0.50000000 1.0 Li Li7 1 0.00553100 0.49446900 0.25000000 1.0 Fe Fe8 1 0.16207600 0.33792400 0.75000000 1.0 Fe Fe9 1 0.33792400 0.16207600 0.25000000 1.0 Fe Fe10 1 0.66207600 0.83792400 0.75000000 1.0 Fe Fe11 1 0.83792400 0.66207600 0.25000000 1.0 Si Si12 1 0.02266300 0.76032100 0.99257000 1.0 Si Si13 1 0.07915300 0.70287200 0.45520500 1.0 Si Si14 1 0.04174100 0.17791500 0.30517000 1.0 Si Si15 1 0.23967900 0.97733700 0.99257000 1.0 Si Si16 1 0.20287200 0.57915300 0.95520500 1.0 Si Si17 1 0.29712800 0.92084700 0.45520500 1.0 Si Si18 1 0.26032100 0.52266300 0.49257000 1.0 Si Si19 1 0.17791500 0.04174100 0.69483000 1.0 Si Si20 1 0.32208500 0.45825900 0.19483000 1.0 Si Si21 1 0.42084700 0.79712800 0.95520500 1.0 Si Si22 1 0.47733700 0.73967900 0.49257000 1.0 Si Si23 1 0.45825900 0.32208500 0.80517000 1.0 Si Si24 1 0.54174100 0.67791500 0.19483000 1.0 Si Si25 1 0.52266300 0.26032100 0.50743000 1.0 Si Si26 1 0.57915300 0.20287200 0.04479500 1.0 Si Si27 1 0.67791500 0.54174100 0.80517000 1.0 Si Si28 1 0.82208500 0.95825900 0.30517000 1.0 Si Si29 1 0.73967900 0.47733700 0.50743000 1.0 Si Si30 1 0.70287200 0.07915300 0.54479500 1.0 Si Si31 1 0.79712800 0.42084700 0.04479500 1.0 Si Si32 1 0.76032100 0.02266300 0.00743000 1.0 Si Si33 1 0.95825900 0.82208500 0.69483000 1.0 Si Si34 1 0.92084700 0.29712800 0.54479500 1.0 Si Si35 1 0.97733700 0.23967900 0.00743000 1.0 O O36 1 0.04889100 0.95110900 0.68985600 1.0 O O37 1 0.00195000 0.65049000 0.32626500 1.0 O O38 1 0.11233300 0.88766700 0.02056300 1.0 O O39 1 0.00369600 0.26964900 0.41847600 1.0 O O40 1 0.09618700 0.64874000 0.01183700 1.0 O O41 1 0.02508600 0.24530100 0.16301200 1.0 O O42 1 0.17734000 0.82266000 0.41808400 1.0 O O43 1 0.14874000 0.59618700 0.51183700 1.0 O O44 1 0.09558200 0.25437800 0.91459500 1.0 O O45 1 0.15049000 0.50195000 0.82626500 1.0 O O46 1 0.16399600 0.17846300 0.66223100 1.0 O O47 1 0.23035100 0.49630400 0.08152400 1.0 O O48 1 0.17846300 0.16399600 0.33776900 1.0 O O49 1 0.34951000 0.99805000 0.32626500 1.0 O O50 1 0.25469900 0.47491400 0.33698800 1.0 O O51 1 0.24562200 0.40441800 0.58540500 1.0 O O52 1 0.35126000 0.90381300 0.01183700 1.0 O O53 1 0.32266000 0.67734000 0.91808400 1.0 O O54 1 0.25437800 0.09558200 0.08540500 1.0 O O55 1 0.24530100 0.02508600 0.83698800 1.0 O O56 1 0.40381300 0.85126000 0.51183700 1.0 O O57 1 0.32153700 0.33600400 0.83776900 1.0 O O58 1 0.26964900 0.00369600 0.58152400 1.0 O O59 1 0.38766700 0.61233300 0.52056300 1.0 O O60 1 0.33600400 0.32153700 0.16223100 1.0 O O61 1 0.49805000 0.84951000 0.82626500 1.0 O O62 1 0.45110900 0.54889100 0.18985600 1.0 O O63 1 0.40441800 0.24562200 0.41459500 1.0 O O64 1 0.50369600 0.76964900 0.08152400 1.0 O O65 1 0.52508600 0.74530100 0.33698800 1.0 O O66 1 0.47491400 0.25469900 0.66301200 1.0 O O67 1 0.49630400 0.23035100 0.91847600 1.0 O O68 1 0.59558200 0.75437800 0.58540500 1.0 O O69 1 0.54889100 0.45110900 0.81014400 1.0 O O70 1 0.50195000 0.15049000 0.17373500 1.0 O O71 1 0.66399600 0.67846300 0.83776900 1.0 O O72 1 0.61233300 0.38766700 0.47943700 1.0 O O73 1 0.73035100 0.99630400 0.41847600 1.0 O O74 1 0.67846300 0.66399600 0.16223100 1.0 O O75 1 0.59618700 0.14874000 0.48816300 1.0 O O76 1 0.75469900 0.97491400 0.16301200 1.0 O O77 1 0.74562200 0.90441800 0.91459500 1.0 O O78 1 0.67734000 0.32266000 0.08191600 1.0 O O79 1 0.64874000 0.09618700 0.98816300 1.0 O O80 1 0.75437800 0.59558200 0.41459500 1.0 O O81 1 0.74530100 0.52508600 0.66301200 1.0 O O82 1 0.65049000 0.00195000 0.67373500 1.0 O O83 1 0.82153700 0.83600400 0.66223100 1.0 O O84 1 0.76964900 0.50369600 0.91847600 1.0 O O85 1 0.83600400 0.82153700 0.33776900 1.0 O O86 1 0.84951000 0.49805000 0.17373500 1.0 O O87 1 0.90441800 0.74562200 0.08540500 1.0 O O88 1 0.85126000 0.40381300 0.48816300 1.0 O O89 1 0.82266000 0.17734000 0.58191600 1.0 O O90 1 0.97491400 0.75469900 0.83698800 1.0 O O91 1 0.90381300 0.35126000 0.98816300 1.0 O O92 1 0.99630400 0.73035100 0.58152400 1.0 O O93 1 0.88766700 0.11233300 0.97943700 1.0 O O94 1 0.99805000 0.34951000 0.67373500 1.0 O O95 1 0.95110900 0.04889100 0.31014400 1.0