# generated using pymatgen data_Mn8Cl3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.23787605 _cell_length_b 9.23787418 _cell_length_c 9.23761637 _cell_angle_alpha 119.18226097 _cell_angle_beta 119.18227387 _cell_angle_gamma 91.42288237 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn8Cl3O10 _chemical_formula_sum 'Mn16 Cl6 O20' _cell_volume 564.12712813 _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 Mn Mn0 1 0.50000003 0.49999871 -0.00000132 1.0 Mn Mn1 1 0.00000008 0.00000043 0.00000043 1.0 Mn Mn2 1 0.74999975 0.25000059 0.50000016 1.0 Mn Mn3 1 0.25000028 0.74999977 0.50000000 1.0 Mn Mn4 1 0.00000411 0.64935740 0.64934910 1.0 Mn Mn5 1 0.64934335 -0.00001385 0.64934588 1.0 Mn Mn6 1 0.35064230 -0.00000726 0.35064707 1.0 Mn Mn7 1 0.00001054 0.35065648 0.35065056 1.0 Mn Mn8 1 0.99936724 0.99937398 0.35112564 1.0 Mn Mn9 1 0.64824748 0.64824098 0.64887586 1.0 Mn Mn10 1 0.00062410 0.00063089 0.64887353 1.0 Mn Mn11 1 0.64825158 0.99937830 0.00001294 1.0 Mn Mn12 1 0.99936736 0.64824103 -0.00001197 1.0 Mn Mn13 1 0.00062114 0.35174844 -0.00001315 1.0 Mn Mn14 1 0.35175883 0.00063293 0.00001172 1.0 Mn Mn15 1 0.35176008 0.35175351 0.35112495 1.0 Cl Cl16 1 0.30309093 0.30309087 -0.00000051 1.0 Cl Cl17 1 0.69712844 0.69712965 0.39426108 1.0 Cl Cl18 1 0.69713254 0.30286893 0.00000125 1.0 Cl Cl19 1 0.30286889 0.69713239 0.00000104 1.0 Cl Cl20 1 0.30287047 0.30287165 0.60573870 1.0 Cl Cl21 1 0.69690926 0.69690922 0.00000050 1.0 O O22 1 0.10059074 0.90008038 0.20050595 1.0 O O23 1 0.69957182 0.90008170 0.79949264 1.0 O O24 1 0.09991959 0.89940906 0.79949432 1.0 O O25 1 0.90009716 0.10062009 0.20052296 1.0 O O26 1 0.90009443 0.69957239 0.79947532 1.0 O O27 1 0.89937936 0.09990245 0.79947699 1.0 O O28 1 0.30042806 0.09990597 0.20052464 1.0 O O29 1 0.09991868 0.30042858 0.20050732 1.0 O O30 1 0.40150862 0.90150843 0.49999982 1.0 O O31 1 0.90152939 0.40153043 0.50000247 1.0 O O32 1 0.59847050 0.09847084 0.49999810 1.0 O O33 1 0.09849150 0.59849195 0.50000066 1.0 O O34 1 0.59524785 0.09524890 0.19049936 1.0 O O35 1 0.90476100 0.09523840 0.50000042 1.0 O O36 1 0.59523872 0.40476261 0.50000027 1.0 O O37 1 0.09524217 0.59524122 0.19048277 1.0 O O38 1 0.09524033 0.90475894 0.50000052 1.0 O O39 1 0.40475912 0.59524204 0.50000020 1.0 O O40 1 0.90475269 0.40475305 0.80950225 1.0 O O41 1 0.40475948 0.90475853 0.80951859 1.0