# generated using pymatgen data_LiFe(Si2O5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.23808104 _cell_length_b 11.23808104 _cell_length_c 10.01759200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.37228103 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe(Si2O5)3 _chemical_formula_sum 'Li4 Fe4 Si24 O60' _cell_volume 1248.27779810 _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 0.24906700 0.24906700 0.50000000 1.0 Li Li1 1 0.25093300 0.25093300 0.00000000 1.0 Li Li2 1 0.74906700 0.74906700 0.00000000 1.0 Li Li3 1 0.75093300 0.75093300 0.50000000 1.0 Fe Fe4 1 0.15993800 0.34006200 0.75000000 1.0 Fe Fe5 1 0.34006200 0.15993800 0.25000000 1.0 Fe Fe6 1 0.65993800 0.84006200 0.75000000 1.0 Fe Fe7 1 0.84006200 0.65993800 0.25000000 1.0 Si Si8 1 0.02444800 0.75905300 0.99203700 1.0 Si Si9 1 0.07593500 0.70687800 0.45477900 1.0 Si Si10 1 0.04433400 0.17361300 0.30331700 1.0 Si Si11 1 0.24094700 0.97555200 0.99203700 1.0 Si Si12 1 0.20687800 0.57593500 0.95477900 1.0 Si Si13 1 0.29312200 0.92406500 0.45477900 1.0 Si Si14 1 0.25905300 0.52444800 0.49203700 1.0 Si Si15 1 0.17361300 0.04433400 0.69668300 1.0 Si Si16 1 0.32638700 0.45566600 0.19668300 1.0 Si Si17 1 0.42406500 0.79312200 0.95477900 1.0 Si Si18 1 0.47555200 0.74094700 0.49203700 1.0 Si Si19 1 0.45566600 0.32638700 0.80331700 1.0 Si Si20 1 0.54433400 0.67361300 0.19668300 1.0 Si Si21 1 0.52444800 0.25905300 0.50796300 1.0 Si Si22 1 0.57593500 0.20687800 0.04522100 1.0 Si Si23 1 0.67361300 0.54433400 0.80331700 1.0 Si Si24 1 0.82638700 0.95566600 0.30331700 1.0 Si Si25 1 0.74094700 0.47555200 0.50796300 1.0 Si Si26 1 0.70687800 0.07593500 0.54522100 1.0 Si Si27 1 0.79312200 0.42406500 0.04522100 1.0 Si Si28 1 0.75905300 0.02444800 0.00796300 1.0 Si Si29 1 0.95566600 0.82638700 0.69668300 1.0 Si Si30 1 0.92406500 0.29312200 0.54522100 1.0 Si Si31 1 0.97555200 0.24094700 0.00796300 1.0 O O32 1 0.04342900 0.95657100 0.69211300 1.0 O O33 1 0.99896400 0.65598100 0.32361900 1.0 O O34 1 0.11678300 0.88321700 0.02460700 1.0 O O35 1 0.00657100 0.26183700 0.42073700 1.0 O O36 1 0.09862700 0.64628200 0.00438600 1.0 O O37 1 0.02838900 0.23724600 0.16007000 1.0 O O38 1 0.17422100 0.82577900 0.41768500 1.0 O O39 1 0.14628200 0.59862700 0.50438600 1.0 O O40 1 0.09370800 0.25553000 0.91333800 1.0 O O41 1 0.15598100 0.49896400 0.82361900 1.0 O O42 1 0.16236500 0.18300600 0.66140500 1.0 O O43 1 0.23816300 0.49342900 0.07926300 1.0 O O44 1 0.18300600 0.16236500 0.33859500 1.0 O O45 1 0.34401900 0.00103600 0.32361900 1.0 O O46 1 0.26275400 0.47161100 0.33993000 1.0 O O47 1 0.24447000 0.40629200 0.58666200 1.0 O O48 1 0.35371800 0.90137300 0.00438600 1.0 O O49 1 0.32577900 0.67422100 0.91768500 1.0 O O50 1 0.25553000 0.09370800 0.08666200 1.0 O O51 1 0.23724600 0.02838900 0.83993000 1.0 O O52 1 0.40137300 0.85371800 0.50438600 1.0 O O53 1 0.31699400 0.33763500 0.83859500 1.0 O O54 1 0.26183700 0.00657100 0.57926300 1.0 O O55 1 0.38321700 0.61678300 0.52460700 1.0 O O56 1 0.33763500 0.31699400 0.16140500 1.0 O O57 1 0.50103600 0.84401900 0.82361900 1.0 O O58 1 0.45657100 0.54342900 0.19211300 1.0 O O59 1 0.40629200 0.24447000 0.41333800 1.0 O O60 1 0.50657100 0.76183700 0.07926300 1.0 O O61 1 0.52838900 0.73724600 0.33993000 1.0 O O62 1 0.47161100 0.26275400 0.66007000 1.0 O O63 1 0.49342900 0.23816300 0.92073700 1.0 O O64 1 0.59370800 0.75553000 0.58666200 1.0 O O65 1 0.54342900 0.45657100 0.80788700 1.0 O O66 1 0.49896400 0.15598100 0.17638100 1.0 O O67 1 0.66236500 0.68300600 0.83859500 1.0 O O68 1 0.61678300 0.38321700 0.47539300 1.0 O O69 1 0.73816300 0.99342900 0.42073700 1.0 O O70 1 0.68300600 0.66236500 0.16140500 1.0 O O71 1 0.59862700 0.14628200 0.49561400 1.0 O O72 1 0.76275400 0.97161100 0.16007000 1.0 O O73 1 0.74447000 0.90629200 0.91333800 1.0 O O74 1 0.67422100 0.32577900 0.08231500 1.0 O O75 1 0.64628200 0.09862700 0.99561400 1.0 O O76 1 0.75553000 0.59370800 0.41333800 1.0 O O77 1 0.73724600 0.52838900 0.66007000 1.0 O O78 1 0.65598100 0.99896400 0.67638100 1.0 O O79 1 0.81699400 0.83763500 0.66140500 1.0 O O80 1 0.76183700 0.50657100 0.92073700 1.0 O O81 1 0.83763500 0.81699400 0.33859500 1.0 O O82 1 0.84401900 0.50103600 0.17638100 1.0 O O83 1 0.90629200 0.74447000 0.08666200 1.0 O O84 1 0.85371800 0.40137300 0.49561400 1.0 O O85 1 0.82577900 0.17422100 0.58231500 1.0 O O86 1 0.97161100 0.76275400 0.83993000 1.0 O O87 1 0.90137300 0.35371800 0.99561400 1.0 O O88 1 0.99342900 0.73816300 0.57926300 1.0 O O89 1 0.88321700 0.11678300 0.97539300 1.0 O O90 1 0.00103600 0.34401900 0.67638100 1.0 O O91 1 0.95657100 0.04342900 0.30788700 1.0