# generated using pymatgen data_Sr5Ca3Fe2(CoO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73377400 _cell_length_b 7.67944000 _cell_length_c 7.72361044 _cell_angle_alpha 89.98066800 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Ca3Fe2(CoO4)6 _chemical_formula_sum 'Sr5 Ca3 Fe2 Co6 O24' _cell_volume 458.71333400 _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 0.50000000 0.25316500 0.24754200 1.0 Sr Sr1 1 0.00000000 0.25317100 0.24749000 1.0 Sr Sr2 1 0.50000000 0.25323900 0.75285200 1.0 Sr Sr3 1 0.00000000 0.25289500 0.75264100 1.0 Sr Sr4 1 0.50000000 0.74727800 0.75300700 1.0 Ca Ca5 1 0.50000000 0.74356800 0.24146300 1.0 Ca Ca6 1 0.00000000 0.74424700 0.24064600 1.0 Ca Ca7 1 0.00000000 0.74391000 0.75987300 1.0 Fe Fe8 1 0.24949600 0.99800300 0.00081700 1.0 Fe Fe9 1 0.75050400 0.99800300 0.00081700 1.0 Co Co10 1 0.24925600 0.50127400 0.00062000 1.0 Co Co11 1 0.75074400 0.50127400 0.00062000 1.0 Co Co12 1 0.24891500 0.99558100 0.49930200 1.0 Co Co13 1 0.75108500 0.99558100 0.49930200 1.0 Co Co14 1 0.24927000 0.50204100 0.49879400 1.0 Co Co15 1 0.75073000 0.50204100 0.49879400 1.0 O O16 1 0.24942900 0.99243800 0.25549200 1.0 O O17 1 0.75057100 0.99243800 0.25549200 1.0 O O18 1 0.24829700 0.50455400 0.23562400 1.0 O O19 1 0.75170300 0.50455400 0.23562400 1.0 O O20 1 0.24670700 0.99502000 0.74493100 1.0 O O21 1 0.75329300 0.99502000 0.74493100 1.0 O O22 1 0.24726600 0.50350400 0.76511100 1.0 O O23 1 0.75273400 0.50350400 0.76511100 1.0 O O24 1 0.24888000 0.25084300 0.00084700 1.0 O O25 1 0.75112000 0.25084300 0.00084700 1.0 O O26 1 0.24683200 0.74872500 0.00244400 1.0 O O27 1 0.75316800 0.74872500 0.00244400 1.0 O O28 1 0.24915700 0.26233200 0.49973000 1.0 O O29 1 0.75084300 0.26233200 0.49973000 1.0 O O30 1 0.24859800 0.73903100 0.49811200 1.0 O O31 1 0.75140200 0.73903100 0.49811200 1.0 O O32 1 0.50000000 0.99504700 0.00296400 1.0 O O33 1 0.00000000 0.99402600 0.00160700 1.0 O O34 1 0.50000000 0.50996300 0.00481100 1.0 O O35 1 0.00000000 0.51631000 0.00173200 1.0 O O36 1 0.50000000 0.99719300 0.49799900 1.0 O O37 1 0.00000000 0.99528400 0.49938900 1.0 O O38 1 0.50000000 0.50622500 0.49256800 1.0 O O39 1 0.00000000 0.50778500 0.49976900 1.0