# generated using pymatgen data_Sr2CoO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35485981 _cell_length_b 10.71076491 _cell_length_c 6.80486315 _cell_angle_alpha 89.94776560 _cell_angle_beta 66.82344458 _cell_angle_gamma 89.85936602 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CoO4 _chemical_formula_sum 'Sr8 Co4 O16' _cell_volume 358.79159912 _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 0.35372813 0.50000870 0.28729288 1.0 Sr Sr1 1 0.85645723 0.24994766 0.28692496 1.0 Sr Sr2 1 0.35889200 -0.00000463 0.28727182 1.0 Sr Sr3 1 0.85655613 0.75001520 0.28729537 1.0 Sr Sr4 1 0.14362826 0.75005825 0.71289384 1.0 Sr Sr5 1 0.64107060 0.50005344 0.71276368 1.0 Sr Sr6 1 0.14340745 0.24998158 0.71288444 1.0 Sr Sr7 1 0.64624096 -0.00005818 0.71267357 1.0 Co Co8 1 0.50007924 0.75001825 0.00012620 1.0 Co Co9 1 0.99773270 0.49984496 0.00001755 1.0 Co Co10 1 0.49996615 0.24996800 0.99987329 1.0 Co Co11 1 0.00224372 0.00017116 -0.00001284 1.0 O O12 1 0.15396870 0.49993946 0.68699921 1.0 O O13 1 0.65686177 0.24994932 0.68640349 1.0 O O14 1 0.15885740 0.00003093 0.68689109 1.0 O O15 1 0.65747399 0.75003155 0.68594372 1.0 O O16 1 0.34267856 0.75007011 0.31426577 1.0 O O17 1 0.84118399 0.49988632 0.31305877 1.0 O O18 1 0.34307296 0.24994337 0.31337435 1.0 O O19 1 0.84589886 0.00016497 0.31305926 1.0 O O20 1 0.73978426 0.62881443 0.00026977 1.0 O O21 1 0.25569413 0.37076669 0.99985341 1.0 O O22 1 0.74420061 0.12917091 0.99990407 1.0 O O23 1 0.26032978 0.87124206 0.99997364 1.0 O O24 1 0.23958778 0.62092816 0.99994877 1.0 O O25 1 0.75544218 0.37922571 0.00002556 1.0 O O26 1 0.24444099 0.12076906 0.99980741 1.0 O O27 1 0.76052250 0.87906153 0.00021694 1.0