# generated using pymatgen data_Fe2NiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98264700 _cell_length_b 5.98753899 _cell_length_c 24.63079968 _cell_angle_alpha 96.86139395 _cell_angle_beta 89.87474883 _cell_angle_gamma 119.80613177 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2NiO4 _chemical_formula_sum 'Fe20 Ni10 O40' _cell_volume 758.42927782 _cell_formula_units_Z 10 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 0.35238000 0.65099500 0.05082200 1.0 Fe Fe1 1 0.37105100 0.12336700 0.12450900 1.0 Fe Fe2 1 0.87640100 0.12383500 0.12441800 1.0 Fe Fe3 1 0.79590700 0.19024800 0.40130300 1.0 Fe Fe4 1 0.75272100 0.25538600 0.25041200 1.0 Fe Fe5 1 0.87656700 0.62849400 0.12450800 1.0 Fe Fe6 1 0.15244000 0.85766300 0.44845400 1.0 Fe Fe7 1 0.07465100 0.92443100 0.22499300 1.0 Fe Fe8 1 0.19670500 0.79089900 0.60166800 1.0 Fe Fe9 1 0.27732500 0.23006500 0.32453500 1.0 Fe Fe10 1 0.59461600 0.39029900 0.79983700 1.0 Fe Fe11 1 0.55451600 0.45976400 0.64942400 1.0 Fe Fe12 1 0.47467800 0.52639400 0.42537300 1.0 Fe Fe13 1 0.67473700 0.82465800 0.52507300 1.0 Fe Fe14 1 0.87604600 0.12608200 0.62516000 1.0 Fe Fe15 1 0.95728500 0.05557100 0.84915300 1.0 Fe Fe16 1 0.07499500 0.42502100 0.72549300 1.0 Fe Fe17 1 0.48157900 0.52518900 0.92691800 1.0 Fe Fe18 1 0.27415200 0.72138400 0.82453600 1.0 Fe Fe19 1 0.48022200 0.02906800 0.92659700 1.0 Ni Ni20 1 0.99569300 0.99875800 0.99825200 1.0 Ni Ni21 1 0.40161900 0.60084900 0.20179400 1.0 Ni Ni22 1 0.67502800 0.32519700 0.02390400 1.0 Ni Ni23 1 0.77353500 0.72401200 0.32463600 1.0 Ni Ni24 1 0.27505400 0.72399200 0.32462300 1.0 Ni Ni25 1 0.17490100 0.32492300 0.52492100 1.0 Ni Ni26 1 0.67487200 0.32495300 0.52489800 1.0 Ni Ni27 1 0.57355000 0.92377000 0.72552600 1.0 Ni Ni28 1 0.07559600 0.92338400 0.72567600 1.0 Ni Ni29 1 0.97277000 0.52401200 0.92608400 1.0 O O30 1 0.53317800 0.98839200 0.07871400 1.0 O O31 1 0.53378200 0.46553800 0.07876900 1.0 O O32 1 0.72357900 0.27840400 0.16986400 1.0 O O33 1 0.01228500 0.46701900 0.07851500 1.0 O O34 1 0.93460000 0.59579000 0.27294300 1.0 O O35 1 0.74987100 0.79109500 0.17251000 1.0 O O36 1 0.21362900 0.79111700 0.17243100 1.0 O O37 1 0.12681800 0.88486300 0.36994600 1.0 O O38 1 0.02454800 0.97146100 0.08026800 1.0 O O39 1 0.93928600 0.07290500 0.27425600 1.0 O O40 1 0.40743600 0.07229200 0.27413100 1.0 O O41 1 0.20900800 0.24743900 0.17158600 1.0 O O42 1 0.33602900 0.19650000 0.47459300 1.0 O O43 1 0.13961600 0.37740600 0.37476400 1.0 O O44 1 0.61235600 0.37728500 0.37481000 1.0 O O45 1 0.53237300 0.49504600 0.57010800 1.0 O O46 1 0.42428000 0.56668900 0.28100800 1.0 O O47 1 0.33176500 0.66843200 0.47457400 1.0 O O48 1 0.80824500 0.67148600 0.47531100 1.0 O O49 1 0.61459500 0.85465500 0.37518600 1.0 O O50 1 0.54208400 0.97925100 0.57497900 1.0 O O51 1 0.73592600 0.79605700 0.67550500 1.0 O O52 1 0.01871500 0.98242300 0.57581000 1.0 O O53 1 0.81714000 0.15366200 0.48023800 1.0 O O54 1 0.93117200 0.09146500 0.77077500 1.0 O O55 1 0.74339500 0.27577200 0.67680400 1.0 O O56 1 0.20750100 0.27809400 0.67714800 1.0 O O57 1 0.01378900 0.45374600 0.57505400 1.0 O O58 1 0.14390100 0.40286600 0.87439700 1.0 O O59 1 0.94987500 0.57440700 0.77447400 1.0 O O60 1 0.40213300 0.57583300 0.77438100 1.0 O O61 1 0.21912500 0.75718200 0.68074900 1.0 O O62 1 0.32878200 0.67888600 0.97284600 1.0 O O63 1 0.14186700 0.86546300 0.87389000 1.0 O O64 1 0.60156100 0.86173600 0.87471900 1.0 O O65 1 0.41132600 0.04598400 0.77681500 1.0 O O66 1 0.34625500 0.18860700 0.97046300 1.0 O O67 1 0.80437100 0.18051200 0.97256400 1.0 O O68 1 0.61864100 0.36997900 0.87749500 1.0 O O69 1 0.80356700 0.65160100 0.97310400 1.0