# generated using pymatgen data_Zn(FeO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01214537 _cell_length_b 6.01387883 _cell_length_c 36.20429384 _cell_angle_alpha 60.00454654 _cell_angle_beta 60.02791442 _cell_angle_gamma 60.07991624 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn(FeO2)2 _chemical_formula_sum 'Zn12 Fe24 O48' _cell_volume 926.39762967 _cell_formula_units_Z 12 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 Zn Zn0 1 0.12293900 0.12293200 0.02169200 1.0 Zn Zn1 1 0.50008100 0.50016500 0.00014800 1.0 Zn Zn2 1 0.12279900 0.12291600 0.18990200 1.0 Zn Zn3 1 0.50052500 0.50044800 0.16744700 1.0 Zn Zn4 1 0.12735500 0.12740200 0.35406000 1.0 Zn Zn5 1 0.12581100 0.12582500 0.52042500 1.0 Zn Zn6 1 0.87376200 0.87366600 0.31118000 1.0 Zn Zn7 1 0.12543200 0.12543700 0.68726200 1.0 Zn Zn8 1 0.87524300 0.87521100 0.47913000 1.0 Zn Zn9 1 0.12574600 0.12575300 0.85375500 1.0 Zn Zn10 1 0.87521800 0.87520000 0.64578600 1.0 Zn Zn11 1 0.87445800 0.87444000 0.81277200 1.0 Fe Fe12 1 0.00505200 0.49639200 0.08335300 1.0 Fe Fe13 1 0.49676900 0.49679600 0.08367600 1.0 Fe Fe14 1 0.00216100 0.49794300 0.25001900 1.0 Fe Fe15 1 0.49790900 0.00219700 0.25003400 1.0 Fe Fe16 1 0.49639800 0.00500600 0.08335700 1.0 Fe Fe17 1 0.50224200 0.50221400 0.24997600 1.0 Fe Fe18 1 0.49747300 0.49758000 0.33364400 1.0 Fe Fe19 1 0.87625800 0.87630000 0.14422400 1.0 Fe Fe20 1 0.50142900 0.50138000 0.41607200 1.0 Fe Fe21 1 0.49981400 0.49980700 0.49975600 1.0 Fe Fe22 1 0.50156200 0.99949500 0.41650100 1.0 Fe Fe23 1 0.99947600 0.50152500 0.41650900 1.0 Fe Fe24 1 0.50039400 0.50038500 0.58310400 1.0 Fe Fe25 1 0.50033700 0.50032600 0.66648400 1.0 Fe Fe26 1 0.50044500 0.00044900 0.58319100 1.0 Fe Fe27 1 0.00044800 0.50043900 0.58319200 1.0 Fe Fe28 1 0.50037000 0.50037500 0.74978200 1.0 Fe Fe29 1 0.50131700 0.50130200 0.83267600 1.0 Fe Fe30 1 0.50038600 0.00052700 0.74977700 1.0 Fe Fe31 1 0.49952500 0.49951100 0.91620000 1.0 Fe Fe32 1 0.00054200 0.50038800 0.74977400 1.0 Fe Fe33 1 0.49940200 0.00357200 0.91621400 1.0 Fe Fe34 1 0.00360100 0.49940500 0.91620500 1.0 Fe Fe35 1 0.87629000 0.87632100 0.97847600 1.0 O O36 1 0.25221500 0.25166800 0.04621700 1.0 O O37 1 0.25205800 0.71853900 0.04613300 1.0 O O38 1 0.25444500 0.25459400 0.12252700 1.0 O O39 1 0.71839400 0.25172600 0.04617700 1.0 O O40 1 0.25282000 0.25352900 0.21379800 1.0 O O41 1 0.26833300 0.74594100 0.12369200 1.0 O O42 1 0.74293900 0.74278600 0.04495000 1.0 O O43 1 0.26284400 0.71417500 0.21455300 1.0 O O44 1 0.74548300 0.26820500 0.12375900 1.0 O O45 1 0.27136700 0.27102400 0.28640900 1.0 O O46 1 0.71413200 0.26311600 0.21453100 1.0 O O47 1 0.74568600 0.74635100 0.12254000 1.0 O O48 1 0.26063500 0.26053600 0.37670400 1.0 O O49 1 0.28564600 0.73078100 0.28808000 1.0 O O50 1 0.73413300 0.73447900 0.21097400 1.0 O O51 1 0.73101500 0.28562600 0.28806900 1.0 O O52 1 0.26129700 0.26138500 0.45303400 1.0 O O53 1 0.26060100 0.72366400 0.37539500 1.0 O O54 1 0.72367500 0.26046600 0.37542100 1.0 O O55 1 0.73857300 0.73780800 0.28841500 1.0 O O56 1 0.25978300 0.25966400 0.54332500 1.0 O O57 1 0.27995100 0.74139600 0.45637300 1.0 O O58 1 0.74265800 0.74257100 0.37859300 1.0 O O59 1 0.74143900 0.27990100 0.45636400 1.0 O O60 1 0.25993800 0.72079500 0.54329500 1.0 O O61 1 0.25998900 0.26012400 0.61989800 1.0 O O62 1 0.74113500 0.74115100 0.45626300 1.0 O O63 1 0.72079400 0.25993300 0.54327800 1.0 O O64 1 0.28022300 0.73992200 0.62333800 1.0 O O65 1 0.26041900 0.26032500 0.70976800 1.0 O O66 1 0.74056500 0.74042400 0.54650400 1.0 O O67 1 0.26003900 0.26015300 0.78646300 1.0 O O68 1 0.73993700 0.28020700 0.62331600 1.0 O O69 1 0.26098400 0.72059500 0.70966600 1.0 O O70 1 0.72058600 0.26100600 0.70964500 1.0 O O71 1 0.74032600 0.74043800 0.62322200 1.0 O O72 1 0.26068800 0.26064400 0.87626700 1.0 O O73 1 0.27930400 0.74093500 0.78971300 1.0 O O74 1 0.74069700 0.74056900 0.71315500 1.0 O O75 1 0.74092800 0.27930700 0.78969900 1.0 O O76 1 0.25851100 0.25858600 0.95395400 1.0 O O77 1 0.26119300 0.72093600 0.87615900 1.0 O O78 1 0.74148500 0.74157700 0.78959200 1.0 O O79 1 0.72092800 0.26120200 0.87615100 1.0 O O80 1 0.26721800 0.74753800 0.95619600 1.0 O O81 1 0.74753600 0.26723900 0.95619300 1.0 O O82 1 0.73935900 0.73929900 0.88043900 1.0 O O83 1 0.74812400 0.74813400 0.95604000 1.0