# generated using pymatgen data_Ca12FeCo7O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.23235800 _cell_length_b 6.37158500 _cell_length_c 8.78316069 _cell_angle_alpha 86.43139460 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca12FeCo7O24 _chemical_formula_sum 'Ca12 Fe1 Co7 O24' _cell_volume 515.66543857 _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 Ca Ca0 1 0.68627700 0.63200500 0.31452800 1.0 Ca Ca1 1 0.18167100 0.62932600 0.81563200 1.0 Ca Ca2 1 0.18167100 0.37067400 0.18436800 1.0 Ca Ca3 1 0.68627700 0.36799500 0.68547200 1.0 Ca Ca4 1 0.12977700 0.00000000 0.50000000 1.0 Ca Ca5 1 0.63338400 0.00000000 0.00000000 1.0 Ca Ca6 1 0.81826000 0.13053400 0.31683500 1.0 Ca Ca7 1 0.31447600 0.13210500 0.81404500 1.0 Ca Ca8 1 0.86975400 0.50000000 0.00000000 1.0 Ca Ca9 1 0.36597200 0.50000000 0.50000000 1.0 Ca Ca10 1 0.31447600 0.86789500 0.18595500 1.0 Ca Ca11 1 0.81826000 0.86946600 0.68316500 1.0 Fe Fe12 1 0.00006400 0.00000000 0.00000000 1.0 Co Co13 1 0.99991100 0.75010800 0.25002600 1.0 Co Co14 1 0.49996200 0.74996700 0.74982400 1.0 Co Co15 1 0.99991100 0.24989200 0.74997400 1.0 Co Co16 1 0.49996200 0.25003300 0.25017600 1.0 Co Co17 1 0.49776100 0.00000000 0.50000000 1.0 Co Co18 1 0.00000500 0.50000000 0.50000000 1.0 Co Co19 1 0.50246300 0.50000000 0.00000000 1.0 O O20 1 0.09909300 0.71186400 0.05896200 1.0 O O21 1 0.60032700 0.71200800 0.55486900 1.0 O O22 1 0.06466000 0.04072500 0.22310500 1.0 O O23 1 0.56841500 0.04768000 0.72025800 1.0 O O24 1 0.83654500 0.84340000 0.12447600 1.0 O O25 1 0.33117700 0.84640700 0.61772100 1.0 O O26 1 0.90200800 0.21304600 0.55853700 1.0 O O27 1 0.39988500 0.21199700 0.05498700 1.0 O O28 1 0.66907900 0.34656900 0.11816000 1.0 O O29 1 0.16217400 0.34497500 0.62391100 1.0 O O30 1 0.43136000 0.54752100 0.22053100 1.0 O O31 1 0.93513000 0.53958800 0.72135500 1.0 O O32 1 0.90200800 0.78695400 0.44146300 1.0 O O33 1 0.39988500 0.78800300 0.94501300 1.0 O O34 1 0.93513000 0.46041200 0.27864500 1.0 O O35 1 0.43136000 0.45247900 0.77946900 1.0 O O36 1 0.16217400 0.65502500 0.37608900 1.0 O O37 1 0.66907900 0.65343100 0.88184000 1.0 O O38 1 0.09909300 0.28813600 0.94103800 1.0 O O39 1 0.60032700 0.28799200 0.44513100 1.0 O O40 1 0.33117700 0.15359300 0.38227900 1.0 O O41 1 0.83654500 0.15660000 0.87552400 1.0 O O42 1 0.56841500 0.95232000 0.27974200 1.0 O O43 1 0.06466000 0.95927500 0.77689500 1.0