# generated using pymatgen data_SrCa(CoO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65934900 _cell_length_b 7.65934900 _cell_length_c 7.65747900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa(CoO3)2 _chemical_formula_sum 'Sr4 Ca4 Co8 O24' _cell_volume 449.23080757 _cell_formula_units_Z 4 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 0.50000000 0.00000000 0.50000000 1.0 Sr Sr1 1 0.00000000 0.00000000 0.50000000 1.0 Sr Sr2 1 0.00000000 0.50000000 0.50000000 1.0 Sr Sr3 1 0.50000000 0.50000000 0.00000000 1.0 Ca Ca4 1 0.50000000 0.00000000 0.00000000 1.0 Ca Ca5 1 0.00000000 0.00000000 0.00000000 1.0 Ca Ca6 1 0.50000000 0.50000000 0.50000000 1.0 Ca Ca7 1 0.00000000 0.50000000 0.00000000 1.0 Co Co8 1 0.74998800 0.25001200 0.75071400 1.0 Co Co9 1 0.25001200 0.25001200 0.75071400 1.0 Co Co10 1 0.74998800 0.25001200 0.24928600 1.0 Co Co11 1 0.25001200 0.25001200 0.24928600 1.0 Co Co12 1 0.74998800 0.74998800 0.75071400 1.0 Co Co13 1 0.25001200 0.74998800 0.75071400 1.0 Co Co14 1 0.74998800 0.74998800 0.24928600 1.0 Co Co15 1 0.25001200 0.74998800 0.24928600 1.0 O O16 1 0.74998900 0.00000000 0.75279500 1.0 O O17 1 0.25001100 0.00000000 0.75279500 1.0 O O18 1 0.74998900 0.00000000 0.24720500 1.0 O O19 1 0.25001100 0.00000000 0.24720500 1.0 O O20 1 0.74997200 0.50000000 0.75009500 1.0 O O21 1 0.25002800 0.50000000 0.75009500 1.0 O O22 1 0.74997200 0.50000000 0.24990500 1.0 O O23 1 0.25002800 0.50000000 0.24990500 1.0 O O24 1 0.74863000 0.25137000 0.50000000 1.0 O O25 1 0.25137000 0.25137000 0.50000000 1.0 O O26 1 0.75132800 0.24867200 0.00000000 1.0 O O27 1 0.24867200 0.24867200 0.00000000 1.0 O O28 1 0.74863000 0.74863000 0.50000000 1.0 O O29 1 0.25137000 0.74863000 0.50000000 1.0 O O30 1 0.75132800 0.75132800 0.00000000 1.0 O O31 1 0.24867200 0.75132800 0.00000000 1.0 O O32 1 0.50000000 0.25002800 0.75009500 1.0 O O33 1 0.00000000 0.25001100 0.75279500 1.0 O O34 1 0.50000000 0.25002800 0.24990500 1.0 O O35 1 0.00000000 0.25001100 0.24720500 1.0 O O36 1 0.50000000 0.74997200 0.75009500 1.0 O O37 1 0.00000000 0.74998900 0.75279500 1.0 O O38 1 0.50000000 0.74997200 0.24990500 1.0 O O39 1 0.00000000 0.74998900 0.24720500 1.0