# generated using pymatgen data_Sr2Fe2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41092176 _cell_length_b 11.12229713 _cell_length_c 16.03165169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Fe2O5 _chemical_formula_sum 'Sr16 Fe16 O40' _cell_volume 964.81493119 _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 Sr Sr0 1 0.99551611 0.25693979 0.61007211 1.0 Sr Sr1 1 0.00448389 0.74306021 0.11007211 1.0 Sr Sr2 1 0.99551611 0.24306021 0.38992789 1.0 Sr Sr3 1 0.00448389 0.75693979 0.88992789 1.0 Sr Sr4 1 0.00448389 0.74306021 0.38992789 1.0 Sr Sr5 1 0.99551611 0.25693979 0.88992789 1.0 Sr Sr6 1 0.00448389 0.75693979 0.61007211 1.0 Sr Sr7 1 0.99551611 0.24306021 0.11007211 1.0 Sr Sr8 1 0.50505755 0.00685211 0.11007462 1.0 Sr Sr9 1 0.49494245 0.99314789 0.61007462 1.0 Sr Sr10 1 0.50505755 0.49314789 0.88992538 1.0 Sr Sr11 1 0.49494245 0.50685211 0.38992538 1.0 Sr Sr12 1 0.49494245 0.99314789 0.88992538 1.0 Sr Sr13 1 0.50505755 0.00685211 0.38992538 1.0 Sr Sr14 1 0.49494245 0.50685211 0.11007462 1.0 Sr Sr15 1 0.50505755 0.49314789 0.61007462 1.0 Fe Fe16 1 -0.00000000 0.50000000 0.50000000 1.0 Fe Fe17 1 -0.00000000 0.50000000 0.00000000 1.0 Fe Fe18 1 -0.00000000 -0.00000000 0.50000000 1.0 Fe Fe19 1 -0.00000000 -0.00000000 0.00000000 1.0 Fe Fe20 1 0.49973718 0.25000000 0.00000000 1.0 Fe Fe21 1 0.50026282 0.75000000 0.50000000 1.0 Fe Fe22 1 0.50026282 0.75000000 0.00000000 1.0 Fe Fe23 1 0.49973718 0.25000000 0.50000000 1.0 Fe Fe24 1 0.04356595 0.53349215 0.75000000 1.0 Fe Fe25 1 0.95643405 0.46650785 0.25000000 1.0 Fe Fe26 1 0.04356595 0.96650785 0.25000000 1.0 Fe Fe27 1 0.95643405 0.03349215 0.75000000 1.0 Fe Fe28 1 0.54381860 0.78343967 0.25000000 1.0 Fe Fe29 1 0.45618140 0.21656033 0.75000000 1.0 Fe Fe30 1 0.54381860 0.71656033 0.75000000 1.0 Fe Fe31 1 0.45618140 0.28343967 0.25000000 1.0 O O32 1 0.25030301 0.62439149 0.50667892 1.0 O O33 1 0.74969699 0.37560851 0.00667892 1.0 O O34 1 0.25030301 0.87560851 0.49332108 1.0 O O35 1 0.74969699 0.12439149 0.99332108 1.0 O O36 1 0.74969699 0.37560851 0.49332108 1.0 O O37 1 0.25030301 0.62439149 0.99332108 1.0 O O38 1 0.74969699 0.12439149 0.50667892 1.0 O O39 1 0.25030301 0.87560851 0.00667892 1.0 O O40 1 0.24955849 0.12553254 0.99581867 1.0 O O41 1 0.75044151 0.87446746 0.49581867 1.0 O O42 1 0.24955849 0.37446746 0.00418133 1.0 O O43 1 0.75044151 0.62553254 0.50418133 1.0 O O44 1 0.75044151 0.87446746 0.00418133 1.0 O O45 1 0.24955849 0.12553254 0.50418133 1.0 O O46 1 0.75044151 0.62553254 0.99581867 1.0 O O47 1 0.24955849 0.37446746 0.49581867 1.0 O O48 1 0.98804819 0.48014336 0.64118892 1.0 O O49 1 0.01195181 0.51985664 0.14118892 1.0 O O50 1 0.98804819 0.01985664 0.35881108 1.0 O O51 1 0.01195181 0.98014336 0.85881108 1.0 O O52 1 0.01195181 0.51985664 0.35881108 1.0 O O53 1 0.98804819 0.48014336 0.85881108 1.0 O O54 1 0.01195181 0.98014336 0.64118892 1.0 O O55 1 0.98804819 0.01985664 0.14118892 1.0 O O56 1 0.50994030 0.23016838 0.14108946 1.0 O O57 1 0.49005970 0.76983162 0.64108946 1.0 O O58 1 0.50994030 0.26983162 0.85891054 1.0 O O59 1 0.49005970 0.73016838 0.35891054 1.0 O O60 1 0.49005970 0.76983162 0.85891054 1.0 O O61 1 0.50994030 0.23016838 0.35891054 1.0 O O62 1 0.49005970 0.73016838 0.14108946 1.0 O O63 1 0.50994030 0.26983162 0.64108946 1.0 O O64 1 0.89559806 0.81064362 0.25000000 1.0 O O65 1 0.10440194 0.18935638 0.75000000 1.0 O O66 1 0.89559806 0.68935638 0.75000000 1.0 O O67 1 0.10440194 0.31064362 0.25000000 1.0 O O68 1 0.39511163 0.93925345 0.25000000 1.0 O O69 1 0.60488837 0.06074655 0.75000000 1.0 O O70 1 0.39511163 0.56074655 0.75000000 1.0 O O71 1 0.60488837 0.43925345 0.25000000 1.0