# generated using pymatgen data_Fe3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09147700 _cell_length_b 6.09223100 _cell_length_c 16.97859873 _cell_angle_alpha 89.84056737 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3O4 _chemical_formula_sum 'Fe24 O32' _cell_volume 630.08499018 _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 Fe Fe0 1 0.25157400 0.50023200 0.50338300 1.0 Fe Fe1 1 0.25155500 0.50484700 0.00456800 1.0 Fe Fe2 1 0.24788400 0.99741200 0.75721800 1.0 Fe Fe3 1 0.50000000 0.49818400 0.69365200 1.0 Fe Fe4 1 0.50000000 0.74832700 0.87708900 1.0 Fe Fe5 1 0.00000000 0.25178600 0.13171500 1.0 Fe Fe6 1 0.25604000 0.99553500 0.25274500 1.0 Fe Fe7 1 0.50000000 0.75558200 0.37665800 1.0 Fe Fe8 1 0.50000000 0.24706400 0.88120500 1.0 Fe Fe9 1 0.50000000 0.24420600 0.37583800 1.0 Fe Fe10 1 0.50000000 0.99814500 0.56923300 1.0 Fe Fe11 1 0.00000000 0.49369500 0.81738700 1.0 Fe Fe12 1 0.50000000 0.50155300 0.19083300 1.0 Fe Fe13 1 0.00000000 0.24482500 0.63034500 1.0 Fe Fe14 1 0.00000000 0.50118300 0.31405200 1.0 Fe Fe15 1 0.00000000 0.00015200 0.44416400 1.0 Fe Fe16 1 0.74842600 0.50023200 0.50338300 1.0 Fe Fe17 1 0.74844500 0.50484700 0.00456800 1.0 Fe Fe18 1 0.00000000 0.00644900 0.94481500 1.0 Fe Fe19 1 0.00000000 0.75156100 0.12942200 1.0 Fe Fe20 1 0.74396000 0.99553500 0.25274500 1.0 Fe Fe21 1 0.75211600 0.99741200 0.75721800 1.0 Fe Fe22 1 0.00000000 0.75244700 0.63135400 1.0 Fe Fe23 1 0.50000000 0.99501800 0.07099700 1.0 O O24 1 0.74080000 0.49088700 0.88477800 1.0 O O25 1 0.00000000 0.27240200 0.00996600 1.0 O O26 1 0.50000000 0.27454200 0.49638100 1.0 O O27 1 0.76316400 0.49714800 0.62504100 1.0 O O28 1 0.26519000 0.49991200 0.38002100 1.0 O O29 1 0.00000000 0.24583200 0.74878300 1.0 O O30 1 0.78469400 0.99097500 0.13185700 1.0 O O31 1 0.50000000 0.72236200 0.00115500 1.0 O O32 1 0.50000000 0.77070700 0.25819700 1.0 O O33 1 0.50000000 0.75217200 0.75618900 1.0 O O34 1 0.25626700 0.01614700 0.88309800 1.0 O O35 1 0.00000000 0.27939700 0.50923500 1.0 O O36 1 0.23683600 0.49714800 0.62504100 1.0 O O37 1 0.50000000 0.27824000 0.00134400 1.0 O O38 1 0.00000000 0.24048600 0.25101100 1.0 O O39 1 0.21612100 0.51020600 0.12388900 1.0 O O40 1 0.25920000 0.49088700 0.88477800 1.0 O O41 1 0.72431200 0.99949300 0.37542200 1.0 O O42 1 0.00000000 0.71944200 0.50963900 1.0 O O43 1 0.50000000 0.24881200 0.76180200 1.0 O O44 1 0.27568800 0.99949300 0.37542200 1.0 O O45 1 0.78387900 0.51020600 0.12388900 1.0 O O46 1 0.00000000 0.74705200 0.75032500 1.0 O O47 1 0.50000000 0.72329400 0.49683500 1.0 O O48 1 0.73481000 0.49991200 0.38002100 1.0 O O49 1 0.00000000 0.73734600 0.01008100 1.0 O O50 1 0.21530600 0.99097500 0.13185700 1.0 O O51 1 0.00000000 0.76005600 0.24806600 1.0 O O52 1 0.77920800 0.99896600 0.63026100 1.0 O O53 1 0.50000000 0.22771700 0.25664800 1.0 O O54 1 0.22079200 0.99896600 0.63026100 1.0 O O55 1 0.74373300 0.01614700 0.88309800 1.0