# generated using pymatgen data_K4Fe2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05834400 _cell_length_b 10.50878600 _cell_length_c 23.84153900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4Fe2O7 _chemical_formula_sum 'K24 Fe12 O42' _cell_volume 1517.89162188 _cell_formula_units_Z 6 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 K K0 1 0.50000000 0.04580800 0.00532600 1.0 K K1 1 0.00000000 0.83944000 0.05164600 1.0 K K2 1 0.50000000 0.33436700 0.10308600 1.0 K K3 1 0.00000000 0.53632200 0.16472600 1.0 K K4 1 0.50000000 0.96009000 0.17046800 1.0 K K5 1 0.00000000 0.16906100 0.23085700 1.0 K K6 1 0.50000000 0.67094300 0.27376700 1.0 K K7 1 0.00000000 0.45779000 0.32822600 1.0 K K8 1 0.50000000 0.03947000 0.33454000 1.0 K K9 1 0.00000000 0.83345800 0.38788400 1.0 K K10 1 0.50000000 0.33122700 0.45312100 1.0 K K11 1 0.00000000 0.54049400 0.49639000 1.0 K K12 1 0.50000000 0.95419200 0.50532600 1.0 K K13 1 0.00000000 0.16056000 0.55164600 1.0 K K14 1 0.50000000 0.66563300 0.60308600 1.0 K K15 1 0.00000000 0.46367800 0.66472600 1.0 K K16 1 0.50000000 0.03991000 0.67046800 1.0 K K17 1 0.00000000 0.83093900 0.73085700 1.0 K K18 1 0.50000000 0.32905700 0.77376700 1.0 K K19 1 0.00000000 0.54221000 0.82822600 1.0 K K20 1 0.50000000 0.96053000 0.83454000 1.0 K K21 1 0.00000000 0.16654200 0.88788400 1.0 K K22 1 0.50000000 0.66877300 0.95312100 1.0 K K23 1 0.00000000 0.45950600 0.99639000 1.0 Fe Fe24 1 0.00000000 0.16681000 0.09183300 1.0 Fe Fe25 1 0.50000000 0.67472900 0.09040400 1.0 Fe Fe26 1 0.00000000 0.82702800 0.25791000 1.0 Fe Fe27 1 0.50000000 0.32703900 0.24110900 1.0 Fe Fe28 1 0.00000000 0.17160200 0.41061300 1.0 Fe Fe29 1 0.50000000 0.67242600 0.42325000 1.0 Fe Fe30 1 0.00000000 0.83319000 0.59183300 1.0 Fe Fe31 1 0.50000000 0.32527100 0.59040400 1.0 Fe Fe32 1 0.00000000 0.17297200 0.75791000 1.0 Fe Fe33 1 0.50000000 0.67296100 0.74110900 1.0 Fe Fe34 1 0.00000000 0.82839800 0.91061300 1.0 Fe Fe35 1 0.50000000 0.32757400 0.92325000 1.0 O O36 1 0.27508100 0.60402700 0.06457500 1.0 O O37 1 0.72491900 0.60402700 0.06457500 1.0 O O38 1 0.50000000 0.82430900 0.06686000 1.0 O O39 1 0.00000000 0.32610600 0.09294100 1.0 O O40 1 0.23667500 0.08596100 0.09394700 1.0 O O41 1 0.76332500 0.08596100 0.09394700 1.0 O O42 1 0.50000000 0.67110800 0.15916100 1.0 O O43 1 0.73973500 0.40472500 0.23937500 1.0 O O44 1 0.26026500 0.40472500 0.23937500 1.0 O O45 1 0.50000000 0.16846000 0.23785100 1.0 O O46 1 0.00000000 0.66867300 0.26282100 1.0 O O47 1 0.76098300 0.90496600 0.26187300 1.0 O O48 1 0.23901700 0.90496600 0.26187300 1.0 O O49 1 0.00000000 0.16761500 0.34182900 1.0 O O50 1 0.27421900 0.59999800 0.39926500 1.0 O O51 1 0.72578100 0.59999800 0.39926500 1.0 O O52 1 0.50000000 0.82349000 0.40139600 1.0 O O53 1 0.00000000 0.32218100 0.43339200 1.0 O O54 1 0.77552600 0.09878700 0.43578700 1.0 O O55 1 0.22447400 0.09878700 0.43578700 1.0 O O56 1 0.50000000 0.66968100 0.49251200 1.0 O O57 1 0.27508100 0.39597300 0.56457500 1.0 O O58 1 0.72491900 0.39597300 0.56457500 1.0 O O59 1 0.50000000 0.17569100 0.56686000 1.0 O O60 1 0.00000000 0.67389400 0.59294100 1.0 O O61 1 0.76332500 0.91403900 0.59394700 1.0 O O62 1 0.23667500 0.91403900 0.59394700 1.0 O O63 1 0.50000000 0.32889200 0.65916100 1.0 O O64 1 0.26026500 0.59527500 0.73937500 1.0 O O65 1 0.73973500 0.59527500 0.73937500 1.0 O O66 1 0.50000000 0.83154000 0.73785100 1.0 O O67 1 0.00000000 0.33132700 0.76282100 1.0 O O68 1 0.76098300 0.09503400 0.76187300 1.0 O O69 1 0.23901700 0.09503400 0.76187300 1.0 O O70 1 0.00000000 0.83238500 0.84182900 1.0 O O71 1 0.27421900 0.40000200 0.89926500 1.0 O O72 1 0.72578100 0.40000200 0.89926500 1.0 O O73 1 0.50000000 0.17651000 0.90139600 1.0 O O74 1 0.00000000 0.67781900 0.93339200 1.0 O O75 1 0.77552600 0.90121300 0.93578700 1.0 O O76 1 0.22447400 0.90121300 0.93578700 1.0 O O77 1 0.50000000 0.33031900 0.99251200 1.0