# generated using pymatgen data_BaFe15O23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 28.14282561 _cell_length_b 28.14282543 _cell_length_c 28.14282597 _cell_angle_alpha 12.10308483 _cell_angle_beta 12.10308653 _cell_angle_gamma 12.10308543 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFe15O23 _chemical_formula_sum 'Ba2 Fe30 O46' _cell_volume 851.77176488 _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 Ba Ba0 1 0.09899370 0.09899370 0.09899370 1.0 Ba Ba1 1 0.90100630 0.90100630 0.90100630 1.0 Fe Fe2 1 0.30457636 0.80511397 0.30457636 1.0 Fe Fe3 1 0.77437814 0.27394989 0.77437814 1.0 Fe Fe4 1 0.77437814 0.77437814 0.27394989 1.0 Fe Fe5 1 0.72605011 0.22562186 0.22562186 1.0 Fe Fe6 1 0.22562186 0.22562186 0.72605011 1.0 Fe Fe7 1 0.74870007 0.74870007 0.74870007 1.0 Fe Fe8 1 0.19488603 0.69542364 0.69542364 1.0 Fe Fe9 1 0.21813248 0.21813248 0.21813248 1.0 Fe Fe10 1 0.63771482 0.63771482 0.63771482 1.0 Fe Fe11 1 0.97766524 0.97766524 0.97766524 1.0 Fe Fe12 1 0.69542364 0.19488603 0.69542364 1.0 Fe Fe13 1 0.17502715 0.17502715 0.17502715 1.0 Fe Fe14 1 0.43292897 0.43292897 0.43292897 1.0 Fe Fe15 1 0.29634017 0.29634017 0.29634017 1.0 Fe Fe16 1 0.82497285 0.82497285 0.82497285 1.0 Fe Fe17 1 0.30457636 0.30457636 0.80511397 1.0 Fe Fe18 1 0.80511397 0.30457636 0.30457636 1.0 Fe Fe19 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe20 1 0.78186752 0.78186752 0.78186752 1.0 Fe Fe21 1 0.36228518 0.36228518 0.36228518 1.0 Fe Fe22 1 0.22562186 0.72605011 0.22562186 1.0 Fe Fe23 1 0.25129993 0.25129993 0.25129993 1.0 Fe Fe24 1 0.27394989 0.77437814 0.77437814 1.0 Fe Fe25 1 0.70365983 0.70365983 0.70365983 1.0 Fe Fe26 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe27 1 0.69542364 0.69542364 0.19488603 1.0 Fe Fe28 1 0.56707103 0.56707103 0.56707103 1.0 Fe Fe29 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe30 1 0.02233476 0.02233476 0.02233476 1.0 Fe Fe31 1 0.00000000 0.50000000 0.50000000 1.0 O O32 1 0.96801074 0.96801074 0.44345792 1.0 O O33 1 0.38507786 0.38507786 0.93388740 1.0 O O34 1 0.04452226 0.04452226 0.04452226 1.0 O O35 1 0.90428854 0.90428854 0.40253827 1.0 O O36 1 0.80730354 0.34079557 0.80730354 1.0 O O37 1 0.45901102 0.45901102 0.45901102 1.0 O O38 1 0.03198926 0.55654208 0.03198926 1.0 O O39 1 0.47296318 0.47296319 0.92505840 1.0 O O40 1 0.09571146 0.09571146 0.59746173 1.0 O O41 1 0.59746173 0.09571146 0.09571146 1.0 O O42 1 0.15162540 0.15162540 0.15162540 1.0 O O43 1 0.52703682 0.52703681 0.07494160 1.0 O O44 1 0.80730354 0.80730354 0.34079557 1.0 O O45 1 0.52703681 0.07494160 0.52703681 1.0 O O46 1 0.19269646 0.65920443 0.19269646 1.0 O O47 1 0.36396148 0.36396148 0.81553653 1.0 O O48 1 0.36396148 0.81553653 0.36396148 1.0 O O49 1 0.81553653 0.36396148 0.36396148 1.0 O O50 1 0.44345792 0.96801074 0.96801074 1.0 O O51 1 0.93388740 0.38507786 0.38507786 1.0 O O52 1 0.03198926 0.03198926 0.55654208 1.0 O O53 1 0.54098898 0.54098898 0.54098898 1.0 O O54 1 0.07494160 0.52703681 0.52703681 1.0 O O55 1 0.19269646 0.19269646 0.65920443 1.0 O O56 1 0.18446347 0.63603852 0.63603852 1.0 O O57 1 0.84837460 0.84837460 0.84837460 1.0 O O58 1 0.90428854 0.40253827 0.90428854 1.0 O O59 1 0.55654208 0.03198926 0.03198926 1.0 O O60 1 0.47296319 0.92505840 0.47296319 1.0 O O61 1 0.68105299 0.68105299 0.68105299 1.0 O O62 1 0.59532616 0.59532616 0.59532616 1.0 O O63 1 0.61492214 0.61492214 0.06611260 1.0 O O64 1 0.06611260 0.61492214 0.61492214 1.0 O O65 1 0.92505840 0.47296319 0.47296319 1.0 O O66 1 0.65920443 0.19269646 0.19269646 1.0 O O67 1 0.34079557 0.80730354 0.80730354 1.0 O O68 1 0.40253827 0.90428854 0.90428854 1.0 O O69 1 0.38507786 0.93388740 0.38507786 1.0 O O70 1 0.95547774 0.95547774 0.95547774 1.0 O O71 1 0.09571146 0.59746173 0.09571146 1.0 O O72 1 0.40467384 0.40467384 0.40467384 1.0 O O73 1 0.63603852 0.63603852 0.18446347 1.0 O O74 1 0.61492214 0.06611260 0.61492214 1.0 O O75 1 0.96801074 0.44345792 0.96801074 1.0 O O76 1 0.63603852 0.18446347 0.63603852 1.0 O O77 1 0.31894701 0.31894701 0.31894701 1.0