# CIF generated by HEAS from Alexandria entry agm005289529 data_agm005289529 _cell_length_a 12.58182 _cell_length_b 7.36512 _cell_length_c 13.13710 _cell_angle_alpha 80.76460 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1201.59044 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B1 B 0.53965 0.62847 0.81577 1.00000 B2 B 0.03965 0.37153 0.68423 1.00000 B3 B 0.46035 0.37153 0.18423 1.00000 B4 B 0.96035 0.62847 0.31577 1.00000 B5 B 0.67715 0.59813 0.78914 1.00000 B6 B 0.17715 0.40187 0.71086 1.00000 B7 B 0.32285 0.40187 0.21086 1.00000 B8 B 0.82285 0.59813 0.28914 1.00000 B9 B 0.71989 0.78873 0.69651 1.00000 B10 B 0.21989 0.21127 0.80349 1.00000 B11 B 0.28011 0.21127 0.30349 1.00000 B12 B 0.78011 0.78873 0.19651 1.00000 B13 B 0.60962 0.94012 0.66458 1.00000 B14 B 0.10962 0.05988 0.83542 1.00000 B15 B 0.39038 0.05988 0.33542 1.00000 B16 B 0.89038 0.94012 0.16458 1.00000 B17 B 0.52698 0.83273 0.87066 1.00000 B18 B 0.02698 0.16727 0.62934 1.00000 B19 B 0.47302 0.16727 0.12934 1.00000 B20 B 0.97302 0.83273 0.37066 1.00000 B21 B 0.63722 0.68234 0.90262 1.00000 B22 B 0.13722 0.31766 0.59738 1.00000 B23 B 0.36278 0.31766 0.09738 1.00000 B24 B 0.86278 0.68234 0.40262 1.00000 B25 B 0.74852 0.78193 0.82937 1.00000 B26 B 0.24852 0.21807 0.67063 1.00000 B27 B 0.25148 0.21807 0.17063 1.00000 B28 B 0.75148 0.78193 0.32937 1.00000 B29 B 0.70654 0.99208 0.75215 1.00000 B30 B 0.20654 0.00792 0.74785 1.00000 B31 B 0.29346 0.00792 0.24785 1.00000 B32 B 0.79346 0.99208 0.25215 1.00000 B33 B 0.56957 0.02275 0.77845 1.00000 B34 B 0.06957 0.97725 0.72155 1.00000 B35 B 0.43043 0.97725 0.22155 1.00000 B36 B 0.93043 0.02275 0.27845 1.00000 B37 B 0.65563 0.92653 0.87966 1.00000 B38 B 0.15563 0.07347 0.62034 1.00000 B39 B 0.34437 0.07347 0.12034 1.00000 B40 B 0.84437 0.92653 0.37966 1.00000 H1 H 0.43088 0.84544 0.70703 1.00000 H2 H 0.93088 0.15456 0.79297 1.00000 H3 H 0.56912 0.15456 0.29297 1.00000 H4 H 0.06912 0.84544 0.20703 1.00000 H5 H 0.47472 0.51048 0.82159 1.00000 H6 H 0.97472 0.48952 0.67841 1.00000 H7 H 0.52528 0.48952 0.17841 1.00000 H8 H 0.02528 0.51048 0.32159 1.00000 H9 H 0.70678 0.44770 0.78215 1.00000 H10 H 0.20678 0.55230 0.71785 1.00000 H11 H 0.29322 0.55230 0.21785 1.00000 H12 H 0.79322 0.44770 0.28215 1.00000 H13 H 0.77799 0.76411 0.62887 1.00000 H14 H 0.27799 0.23589 0.87113 1.00000 H15 H 0.22201 0.23589 0.37113 1.00000 H16 H 0.72201 0.76411 0.12887 1.00000 H17 H 0.58721 0.00887 0.57937 1.00000 H18 H 0.08721 0.99113 0.92063 1.00000 H19 H 0.41279 0.99113 0.42063 1.00000 H20 H 0.91279 0.00887 0.07937 1.00000 H21 H 0.45059 0.84674 0.92212 1.00000 H22 H 0.95059 0.15326 0.57788 1.00000 H23 H 0.54941 0.15326 0.07788 1.00000 H24 H 0.04941 0.84674 0.42212 1.00000 H25 H 0.64458 0.58903 0.98503 1.00000 H26 H 0.14458 0.41097 0.51497 1.00000 H27 H 0.35542 0.41097 0.01497 1.00000 H28 H 0.85542 0.58903 0.48503 1.00000 H29 H 0.83750 0.76070 0.86053 1.00000 H30 H 0.33750 0.23930 0.63947 1.00000 H31 H 0.16250 0.23930 0.13947 1.00000 H32 H 0.66250 0.76070 0.36053 1.00000 H33 H 0.76322 0.12086 0.72642 1.00000 H34 H 0.26322 0.87914 0.77358 1.00000 H35 H 0.23678 0.87914 0.27358 1.00000 H36 H 0.73678 0.12086 0.22642 1.00000 H37 H 0.52149 0.16334 0.76831 1.00000 H38 H 0.02149 0.83666 0.73169 1.00000 H39 H 0.47851 0.83666 0.23169 1.00000 H40 H 0.97851 0.16334 0.26831 1.00000 H41 H 0.67901 0.00899 0.94767 1.00000 H42 H 0.17901 0.99101 0.55233 1.00000 H43 H 0.32099 0.99101 0.05233 1.00000 H44 H 0.82099 0.00899 0.44767 1.00000 H45 H 0.58745 0.43917 0.51866 1.00000 H46 H 0.08745 0.56083 0.98134 1.00000 H47 H 0.41255 0.56083 0.48134 1.00000 H48 H 0.91255 0.43917 0.01866 1.00000 C1 C 0.59370 0.70459 0.69561 1.00000 C2 C 0.09370 0.29541 0.80439 1.00000 C3 C 0.40630 0.29541 0.30439 1.00000 C4 C 0.90630 0.70459 0.19561 1.00000 C5 C 0.50927 0.83771 0.74246 1.00000 C6 C 0.00927 0.16229 0.75754 1.00000 C7 C 0.49073 0.16229 0.25754 1.00000 C8 C 0.99073 0.83771 0.24246 1.00000 C9 C 0.55171 0.61180 0.60870 1.00000 C10 C 0.05171 0.38820 0.89130 1.00000 C11 C 0.44829 0.38820 0.39130 1.00000 C12 C 0.94829 0.61180 0.10870 1.00000 O1 O 0.61900 0.49591 0.57859 1.00000 O2 O 0.11900 0.50409 0.92141 1.00000 O3 O 0.38100 0.50409 0.42141 1.00000 O4 O 0.88100 0.49591 0.07859 1.00000 O5 O 0.46167 0.64902 0.57286 1.00000 O6 O 0.96167 0.35098 0.92714 1.00000 O7 O 0.53833 0.35098 0.42714 1.00000 O8 O 0.03833 0.64902 0.07286 1.00000