# generated using pymatgen data_InFe11O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.51338500 _cell_length_b 10.51338500 _cell_length_c 6.10917000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.57815350 _symmetry_Int_Tables_number 1 _chemical_formula_structural InFe11O16 _chemical_formula_sum 'In2 Fe22 O32' _cell_volume 640.06675420 _cell_formula_units_Z 2 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 In In0 1 0.81310600 0.18689400 0.75000000 1.0 In In1 1 0.18689400 0.81310600 0.25000000 1.0 Fe Fe2 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe3 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe4 1 0.31254100 0.18737200 0.25000000 1.0 Fe Fe5 1 0.81262800 0.68745900 0.25000000 1.0 Fe Fe6 1 0.25190400 0.00145400 0.75000000 1.0 Fe Fe7 1 0.99854600 0.74809600 0.75000000 1.0 Fe Fe8 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe9 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe10 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe11 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe12 1 0.31412900 0.68587100 0.75000000 1.0 Fe Fe13 1 0.50545300 0.74757700 0.25000000 1.0 Fe Fe14 1 0.25242300 0.49454700 0.25000000 1.0 Fe Fe15 1 0.74809600 0.99854600 0.25000000 1.0 Fe Fe16 1 0.00145400 0.25190400 0.25000000 1.0 Fe Fe17 1 0.18737200 0.31254100 0.75000000 1.0 Fe Fe18 1 0.68745900 0.81262800 0.75000000 1.0 Fe Fe19 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe20 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe21 1 0.74757700 0.50545300 0.75000000 1.0 Fe Fe22 1 0.49454700 0.25242300 0.75000000 1.0 Fe Fe23 1 0.68587100 0.31412900 0.25000000 1.0 O O24 1 0.88487000 0.11513000 0.48268500 1.0 O O25 1 0.88487000 0.11513000 0.01731500 1.0 O O26 1 0.11845300 0.11485800 0.25000000 1.0 O O27 1 0.88514200 0.88154700 0.25000000 1.0 O O28 1 0.11485800 0.11845300 0.75000000 1.0 O O29 1 0.88154700 0.88514200 0.75000000 1.0 O O30 1 0.11513000 0.88487000 0.51731500 1.0 O O31 1 0.11513000 0.88487000 0.98268500 1.0 O O32 1 0.38112800 0.12594500 0.50895200 1.0 O O33 1 0.87405500 0.61887200 0.99104800 1.0 O O34 1 0.87405500 0.61887200 0.50895200 1.0 O O35 1 0.38112800 0.12594500 0.99104800 1.0 O O36 1 0.60387000 0.12298200 0.75000000 1.0 O O37 1 0.37598900 0.87911900 0.75000000 1.0 O O38 1 0.12088100 0.62401100 0.75000000 1.0 O O39 1 0.87701800 0.39613000 0.75000000 1.0 O O40 1 0.39613000 0.87701800 0.25000000 1.0 O O41 1 0.62401100 0.12088100 0.25000000 1.0 O O42 1 0.12298200 0.60387000 0.25000000 1.0 O O43 1 0.87911900 0.37598900 0.25000000 1.0 O O44 1 0.61887200 0.87405500 0.00895200 1.0 O O45 1 0.12594500 0.38112800 0.00895200 1.0 O O46 1 0.61887200 0.87405500 0.49104800 1.0 O O47 1 0.12594500 0.38112800 0.49104800 1.0 O O48 1 0.37858200 0.62141800 0.47987500 1.0 O O49 1 0.37858200 0.62141800 0.02012500 1.0 O O50 1 0.37193500 0.38034700 0.25000000 1.0 O O51 1 0.61965300 0.62806500 0.25000000 1.0 O O52 1 0.62806500 0.61965300 0.75000000 1.0 O O53 1 0.38034700 0.37193500 0.75000000 1.0 O O54 1 0.62141800 0.37858200 0.52012500 1.0 O O55 1 0.62141800 0.37858200 0.97987500 1.0