# generated using pymatgen data_Sr3La2Mn6(O2F)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82594525 _cell_length_b 5.81625874 _cell_length_c 22.82885507 _cell_angle_alpha 89.89046542 _cell_angle_beta 90.15135673 _cell_angle_gamma 92.75846607 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3La2Mn6(O2F)6 _chemical_formula_sum 'Sr6 La4 Mn12 O24 F12' _cell_volume 772.66016948 _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 0.03172700 0.51118500 0.08488600 1.0 Sr Sr1 1 0.02006400 0.51446700 0.41696000 1.0 Sr Sr2 1 0.01827700 0.51316700 0.74397600 1.0 Sr Sr3 1 0.50855400 0.00626000 0.09116800 1.0 Sr Sr4 1 0.50248900 0.00738300 0.42487400 1.0 Sr Sr5 1 0.47687600 0.99516000 0.73869500 1.0 La La6 1 0.45489600 0.00538900 0.92089800 1.0 La La7 1 0.96681400 0.48124600 0.24825300 1.0 La La8 1 0.97234300 0.48087900 0.58320600 1.0 La La9 1 0.96961300 0.50704500 0.91960900 1.0 Mn Mn10 1 0.00349800 0.99202700 0.00187700 1.0 Mn Mn11 1 0.03239200 0.99446400 0.17062700 1.0 Mn Mn12 1 0.99336000 0.98351600 0.33250000 1.0 Mn Mn13 1 0.03420200 0.99543400 0.50192200 1.0 Mn Mn14 1 0.00371900 0.99851600 0.66230400 1.0 Mn Mn15 1 0.46697000 0.50610200 0.17050900 1.0 Mn Mn16 1 0.46725300 0.50830900 0.50158900 1.0 Mn Mn17 1 0.47557000 0.49356400 0.83156800 1.0 Mn Mn18 1 0.48706700 0.51155100 0.00106400 1.0 Mn Mn19 1 0.51488700 0.51914900 0.33197600 1.0 Mn Mn20 1 0.50203600 0.49805300 0.66239400 1.0 Mn Mn21 1 0.02498400 0.00122200 0.83129600 1.0 O O22 1 0.98302000 0.07483000 0.25205900 1.0 O O23 1 0.97288400 0.07000000 0.58136400 1.0 O O24 1 0.99562700 0.08164800 0.91537300 1.0 O O25 1 0.21806900 0.72600700 0.98287100 1.0 O O26 1 0.20642300 0.70918600 0.17915300 1.0 O O27 1 0.19378200 0.70984300 0.51263400 1.0 O O28 1 0.20592900 0.72376400 0.85182800 1.0 O O29 1 0.28274000 0.22330000 0.00574100 1.0 O O30 1 0.24882400 0.24986800 0.15757600 1.0 O O31 1 0.25820000 0.25297800 0.48980900 1.0 O O32 1 0.22169900 0.27986000 0.67077700 1.0 O O33 1 0.31411900 0.20451100 0.82669800 1.0 O O34 1 0.47729300 0.57169400 0.08543800 1.0 O O35 1 0.47616700 0.57602500 0.41555100 1.0 O O36 1 0.47759900 0.56458600 0.74956000 1.0 O O37 1 0.54848000 0.44274200 0.58106300 1.0 O O38 1 0.54089700 0.44142400 0.25099000 1.0 O O39 1 0.54359400 0.42182100 0.91538800 1.0 O O40 1 0.80243000 0.69854600 0.32651000 1.0 O O41 1 0.79904000 0.70269800 0.66048000 1.0 O O42 1 0.72189200 0.77212600 0.98537700 1.0 O O43 1 0.03019700 0.94358300 0.41629500 1.0 O O44 1 0.99329900 0.94341600 0.08536700 1.0 O O45 1 0.02342200 0.94074800 0.74967000 1.0 F F46 1 0.24365300 0.72844500 0.31581900 1.0 F F47 1 0.26733700 0.76129600 0.65294900 1.0 F F48 1 0.23632800 0.26538300 0.34234900 1.0 F F49 1 0.74092300 0.75478300 0.17573300 1.0 F F50 1 0.72273300 0.76563800 0.50453000 1.0 F F51 1 0.70897900 0.77588900 0.84590700 1.0 F F52 1 0.77616800 0.27739400 0.01406900 1.0 F F53 1 0.76524900 0.28450100 0.15376800 1.0 F F54 1 0.74710100 0.23769600 0.35272500 1.0 F F55 1 0.77693900 0.27787500 0.48517600 1.0 F F56 1 0.74583800 0.23971000 0.68410100 1.0 F F57 1 0.80753100 0.28229700 0.81981700 1.0