# generated using pymatgen data_Sr2Ca2Fe3CoO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74956700 _cell_length_b 7.69490200 _cell_length_c 7.73024857 _cell_angle_alpha 89.85552722 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ca2Fe3CoO12 _chemical_formula_sum 'Sr4 Ca4 Fe6 Co2 O24' _cell_volume 460.96994364 _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 Sr Sr0 1 0.00000000 0.25254300 0.74846200 1.0 Sr Sr1 1 0.00000000 0.74733100 0.74828700 1.0 Sr Sr2 1 0.50000000 0.74726300 0.74839400 1.0 Sr Sr3 1 0.50000000 0.25269700 0.25158600 1.0 Ca Ca4 1 0.00000000 0.25295400 0.25133600 1.0 Ca Ca5 1 0.00000000 0.74715000 0.25129000 1.0 Ca Ca6 1 0.50000000 0.25274600 0.74866600 1.0 Ca Ca7 1 0.50000000 0.74732300 0.25133000 1.0 Fe Fe8 1 0.25006300 0.00001100 0.00133100 1.0 Fe Fe9 1 0.25001900 0.49997800 0.00175800 1.0 Fe Fe10 1 0.25006100 0.99997500 0.49876100 1.0 Fe Fe11 1 0.74993700 0.00001100 0.00133100 1.0 Fe Fe12 1 0.74998100 0.49997800 0.00175800 1.0 Fe Fe13 1 0.74993900 0.99997500 0.49876100 1.0 Co Co14 1 0.25008900 0.49974600 0.49904000 1.0 Co Co15 1 0.74991100 0.49974600 0.49904000 1.0 O O16 1 0.00000000 0.00002900 0.00489100 1.0 O O17 1 0.00000000 0.49994800 0.00517400 1.0 O O18 1 0.00000000 0.00007700 0.49514000 1.0 O O19 1 0.00000000 0.50093100 0.49297900 1.0 O O20 1 0.50000000 0.99991700 0.00124800 1.0 O O21 1 0.50000000 0.50007700 0.00113400 1.0 O O22 1 0.50000000 0.99986400 0.49869300 1.0 O O23 1 0.50000000 0.49994100 0.49906900 1.0 O O24 1 0.25186900 0.00225900 0.74846100 1.0 O O25 1 0.25221800 0.49884800 0.74548800 1.0 O O26 1 0.24832000 0.99791100 0.25155300 1.0 O O27 1 0.24793400 0.50097600 0.25446200 1.0 O O28 1 0.74813100 0.00225900 0.74846100 1.0 O O29 1 0.74778200 0.49884800 0.74548800 1.0 O O30 1 0.75168000 0.99791100 0.25155300 1.0 O O31 1 0.75206600 0.50097600 0.25446200 1.0 O O32 1 0.24992500 0.25059000 0.00095400 1.0 O O33 1 0.25006000 0.74941400 0.00507400 1.0 O O34 1 0.24990600 0.25838200 0.49803100 1.0 O O35 1 0.25008700 0.74151500 0.49624700 1.0 O O36 1 0.75007500 0.25059000 0.00095400 1.0 O O37 1 0.74994000 0.74941400 0.00507400 1.0 O O38 1 0.75009400 0.25838200 0.49803100 1.0 O O39 1 0.74991300 0.74151500 0.49624700 1.0