# generated using pymatgen data_Sr5Ca3Mn6(FeO12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56683299 _cell_length_b 7.57488189 _cell_length_c 7.57728616 _cell_angle_alpha 90.00298108 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Ca3Mn6(FeO12)2 _chemical_formula_sum 'Sr5 Ca3 Mn6 Fe2 O24' _cell_volume 434.31387354 _cell_formula_units_Z 1 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 -0.00000000 0.25040290 0.74909564 1.0 Sr Sr1 1 0.50000000 0.25035360 0.74905043 1.0 Sr Sr2 1 -0.00000000 0.25054212 0.25070757 1.0 Sr Sr3 1 0.50000000 0.25044556 0.25067731 1.0 Sr Sr4 1 -0.00000000 0.74887994 0.25064050 1.0 Ca Ca5 1 -0.00000000 0.74723060 0.74768232 1.0 Ca Ca6 1 0.50000000 0.74747084 0.74737498 1.0 Ca Ca7 1 0.50000000 0.74719276 0.25211591 1.0 Mn Mn8 1 0.25091203 0.50190161 0.99860869 1.0 Mn Mn9 1 0.74908797 0.50190161 0.99860869 1.0 Mn Mn10 1 0.25084815 0.99664508 0.50061300 1.0 Mn Mn11 1 0.74915185 0.99664508 0.50061300 1.0 Mn Mn12 1 0.25086519 0.50177794 0.50037607 1.0 Mn Mn13 1 0.74913481 0.50177794 0.50037607 1.0 Fe Fe14 1 0.25092780 0.99658214 0.99893273 1.0 Fe Fe15 1 0.74907220 0.99658214 0.99893273 1.0 O O16 1 0.25097532 0.99424789 0.75087479 1.0 O O17 1 0.74902468 0.99424789 0.75087479 1.0 O O18 1 0.25096276 0.50757435 0.74997097 1.0 O O19 1 0.74903724 0.50757435 0.74997097 1.0 O O20 1 0.25282973 0.99576012 0.24947957 1.0 O O21 1 0.74717027 0.99576012 0.24947957 1.0 O O22 1 0.25342526 0.50515989 0.25028738 1.0 O O23 1 0.74657474 0.50515989 0.25028738 1.0 O O24 1 0.25078074 0.24968189 0.99930228 1.0 O O25 1 0.74921926 0.24968189 0.99930228 1.0 O O26 1 0.25239600 0.75109414 0.99788291 1.0 O O27 1 0.74760400 0.75109414 0.99788291 1.0 O O28 1 0.25072467 0.25064530 0.50077439 1.0 O O29 1 0.74927533 0.25064530 0.50077439 1.0 O O30 1 0.25293927 0.75014123 0.50325414 1.0 O O31 1 0.74706073 0.75014123 0.50325414 1.0 O O32 1 -0.00000000 0.99615577 0.99756873 1.0 O O33 1 0.50000000 0.99470866 0.99922851 1.0 O O34 1 -0.00000000 0.50496641 0.99694777 1.0 O O35 1 0.50000000 0.50753930 0.99909563 1.0 O O36 1 -0.00000000 0.99544117 0.50351568 1.0 O O37 1 0.50000000 0.99373442 0.50090668 1.0 O O38 1 -0.00000000 0.50521761 0.50346859 1.0 O O39 1 0.50000000 0.50729418 0.50120789 1.0