# CIF generated by HEAS from Alexandria entry agm005282882 data_agm005282882 _cell_length_a 12.36606 _cell_length_b 13.08518 _cell_length_c 16.37082 _cell_angle_alpha 101.00942 _cell_angle_beta 105.97232 _cell_angle_gamma 105.62203 _cell_volume 2349.99094 _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 H1 H 0.40345 0.47101 0.87807 1.00000 H2 H 0.59655 0.52899 0.12193 1.00000 H3 H 0.37617 0.41342 0.96487 1.00000 H4 H 0.62383 0.58658 0.03513 1.00000 H5 H 0.53326 0.48506 0.70996 1.00000 H6 H 0.46674 0.51494 0.29004 1.00000 H7 H 0.33553 0.85205 0.57996 1.00000 H8 H 0.66447 0.14795 0.42004 1.00000 H9 H 0.65231 0.95714 0.98448 1.00000 H10 H 0.34769 0.04286 0.01552 1.00000 H11 H 0.18952 0.36182 0.77921 1.00000 H12 H 0.81048 0.63818 0.22079 1.00000 H13 H 0.16320 0.30603 0.86639 1.00000 H14 H 0.83680 0.69397 0.13361 1.00000 H15 H 0.87272 0.45632 0.50445 1.00000 H16 H 0.12728 0.54368 0.49555 1.00000 H17 H 0.93819 0.37760 0.44389 1.00000 H18 H 0.06181 0.62240 0.55611 1.00000 H19 H 0.82202 0.69184 0.95025 1.00000 H20 H 0.17798 0.30816 0.04975 1.00000 H21 H 0.41494 0.57641 0.45187 1.00000 H22 H 0.58506 0.42359 0.54813 1.00000 H23 H 0.57495 0.15385 0.80832 1.00000 H24 H 0.42505 0.84615 0.19168 1.00000 H25 H 0.68924 0.78654 0.98922 1.00000 H26 H 0.31076 0.21346 0.01078 1.00000 H27 H 0.39718 0.49363 0.57216 1.00000 H28 H 0.60282 0.50637 0.42784 1.00000 H29 H 0.39099 0.99939 0.71407 1.00000 H30 H 0.60901 0.00061 0.28593 1.00000 H31 H 0.36995 0.72141 0.87084 1.00000 H32 H 0.63005 0.27859 0.12916 1.00000 H33 H 0.49209 0.79165 0.96971 1.00000 H34 H 0.50791 0.20835 0.03029 1.00000 H35 H 0.30407 0.59214 0.75704 1.00000 H36 H 0.69593 0.40786 0.24296 1.00000 H37 H 0.33373 0.48370 0.69578 1.00000 H38 H 0.66627 0.51630 0.30422 1.00000 H39 H 0.26740 0.73461 0.75525 1.00000 H40 H 0.73260 0.26539 0.24475 1.00000 H41 H 0.24348 0.82592 0.69229 1.00000 H42 H 0.75652 0.17408 0.30771 1.00000 H43 H 0.07031 0.86029 0.87724 1.00000 H44 H 0.92969 0.13971 0.12276 1.00000 H45 H 0.75135 0.71768 0.46363 1.00000 H46 H 0.24865 0.28232 0.53637 1.00000 H47 H 0.84101 0.19489 0.71129 1.00000 H48 H 0.15899 0.80511 0.28871 1.00000 H49 H 0.84417 0.55233 0.67898 1.00000 H50 H 0.15583 0.44767 0.32102 1.00000 H51 H 0.56184 0.94970 0.46004 1.00000 H52 H 0.43816 0.05030 0.53996 1.00000 H53 H 0.94976 0.15175 0.97196 1.00000 H54 H 0.05024 0.84825 0.02804 1.00000 H55 H 0.86170 0.64321 0.56314 1.00000 H56 H 0.13830 0.35679 0.43686 1.00000 H57 H 0.74804 0.09824 0.55622 1.00000 H58 H 0.25196 0.90176 0.44378 1.00000 H59 H 0.07811 0.05403 0.92885 1.00000 H60 H 0.92189 0.94597 0.07115 1.00000 H61 H 0.96886 0.79162 0.51872 1.00000 H62 H 0.03114 0.20838 0.48128 1.00000 H63 H 0.05068 0.92545 0.59087 1.00000 H64 H 0.94932 0.07455 0.40913 1.00000 H65 H 0.04885 0.08091 0.63372 1.00000 H66 H 0.95115 0.91909 0.36628 1.00000 H67 H 0.96195 0.16698 0.62061 1.00000 H68 H 0.03805 0.83302 0.37939 1.00000 H69 H 0.14006 0.01420 0.72118 1.00000 H70 H 0.85994 0.98580 0.27882 1.00000 H71 H 0.18081 0.00771 0.83099 1.00000 H72 H 0.81919 0.99229 0.16901 1.00000 H73 H 0.88646 0.54267 0.91048 1.00000 H74 H 0.11354 0.45733 0.08952 1.00000 H75 H 0.90368 0.49245 0.80539 1.00000 H76 H 0.09632 0.50755 0.19461 1.00000 H77 H 0.42944 0.80149 0.34095 1.00000 H78 H 0.57056 0.19851 0.65905 1.00000 H79 H 0.36984 0.65791 0.33787 1.00000 H80 H 0.63016 0.34209 0.66213 1.00000 H81 H 0.86566 0.28712 0.99448 1.00000 H82 H 0.13434 0.71288 0.00552 1.00000 H83 H 0.71912 0.28659 0.93254 1.00000 H84 H 0.28088 0.71341 0.06746 1.00000 C1 C 0.49179 0.60934 0.79116 1.00000 C2 C 0.50821 0.39066 0.20884 1.00000 C3 C 0.34108 0.72750 0.64931 1.00000 C4 C 0.65892 0.27250 0.35069 1.00000 C5 C 0.49157 0.87453 0.86927 1.00000 C6 C 0.50843 0.12547 0.13073 1.00000 C7 C 0.34994 0.40021 0.89301 1.00000 C8 C 0.65006 0.59979 0.10699 1.00000 C9 C 0.56700 0.55304 0.77081 1.00000 C10 C 0.43300 0.44696 0.22919 1.00000 C11 C 0.34977 0.77329 0.57974 1.00000 C12 C 0.65023 0.22671 0.42026 1.00000 C13 C 0.59437 0.96396 0.92360 1.00000 C14 C 0.40563 0.03604 0.07640 1.00000 C15 C 0.21686 0.37648 0.85124 1.00000 C16 C 0.78314 0.62352 0.14876 1.00000 C17 C 0.68579 0.58280 0.82562 1.00000 C18 C 0.31421 0.41720 0.17438 1.00000 C19 C 0.37925 0.72242 0.50999 1.00000 C20 C 0.62075 0.27758 0.49001 1.00000 C21 C 0.62780 0.06284 0.90142 1.00000 C22 C 0.37220 0.93716 0.09858 1.00000 C23 C 0.95697 0.44714 0.50106 1.00000 C24 C 0.04303 0.55286 0.49894 1.00000 C25 C 0.73005 0.66660 0.90566 1.00000 C26 C 0.26995 0.33340 0.09434 1.00000 C27 C 0.39370 0.61944 0.50587 1.00000 C28 C 0.60630 0.38056 0.49413 1.00000 C29 C 0.55271 0.07692 0.82632 1.00000 C30 C 0.44729 0.92308 0.17368 1.00000 C31 C 0.65423 0.72099 0.92667 1.00000 C32 C 0.34577 0.27901 0.07333 1.00000 C33 C 0.38417 0.57340 0.57497 1.00000 C34 C 0.61583 0.42660 0.42503 1.00000 C35 C 0.44903 0.98849 0.77303 1.00000 C36 C 0.55097 0.01151 0.22697 1.00000 C37 C 0.53653 0.69665 0.87058 1.00000 C38 C 0.46347 0.30335 0.12942 1.00000 C39 C 0.36168 0.62624 0.64831 1.00000 C40 C 0.63832 0.37376 0.35169 1.00000 C41 C 0.41807 0.88578 0.79076 1.00000 C42 C 0.58193 0.11422 0.20924 1.00000 C43 C 0.46624 0.76837 0.89701 1.00000 C44 C 0.53376 0.23163 0.10299 1.00000 C45 C 0.36584 0.57423 0.72408 1.00000 C46 C 0.63416 0.42577 0.27592 1.00000 C47 C 0.31064 0.79117 0.72302 1.00000 C48 C 0.68936 0.20883 0.27698 1.00000 C49 C 0.03215 0.86714 0.74163 1.00000 C50 C 0.96785 0.13286 0.25837 1.00000 C51 C 0.85855 0.88610 0.54258 1.00000 C52 C 0.14145 0.11390 0.45742 1.00000 C53 C 0.96471 0.10487 0.73243 1.00000 C54 C 0.03529 0.89513 0.26757 1.00000 C55 C 0.02376 0.81395 0.80741 1.00000 C56 C 0.97624 0.18605 0.19259 1.00000 C57 C 0.75231 0.80220 0.48544 1.00000 C58 C 0.24769 0.19780 0.51456 1.00000 C59 C 0.89334 0.16232 0.75824 1.00000 C60 C 0.10666 0.83768 0.24176 1.00000 C61 C 0.95515 0.70236 0.78650 1.00000 C62 C 0.04485 0.29764 0.21350 1.00000 C63 C 0.64474 0.82239 0.45720 1.00000 C64 C 0.35526 0.17761 0.54280 1.00000 C65 C 0.88388 0.17703 0.84241 1.00000 C66 C 0.11612 0.82297 0.15759 1.00000 C67 C 0.89788 0.63953 0.69775 1.00000 C68 C 0.10212 0.36047 0.30225 1.00000 C69 C 0.64369 0.93051 0.48124 1.00000 C70 C 0.35631 0.06949 0.51876 1.00000 C71 C 0.95312 0.13998 0.90521 1.00000 C72 C 0.04688 0.86002 0.09479 1.00000 C73 C 0.90818 0.69212 0.63243 1.00000 C74 C 0.09182 0.30788 0.36757 1.00000 C75 C 0.75017 0.01447 0.53668 1.00000 C76 C 0.24983 0.98553 0.46332 1.00000 C77 C 0.02536 0.08393 0.87977 1.00000 C78 C 0.97464 0.91607 0.12023 1.00000 C79 C 0.97215 0.80510 0.65162 1.00000 C80 C 0.02785 0.19490 0.34838 1.00000 C81 C 0.85749 0.99482 0.57035 1.00000 C82 C 0.14251 0.00518 0.42965 1.00000 C83 C 0.03069 0.06222 0.79395 1.00000 C84 C 0.96931 0.93778 0.20605 1.00000 C85 C 0.96926 0.85424 0.57433 1.00000 C86 C 0.03074 0.14576 0.42567 1.00000 C87 C 0.96474 0.09019 0.63779 1.00000 C88 C 0.03526 0.90981 0.36221 1.00000 C89 C 0.10318 0.99076 0.77137 1.00000 C90 C 0.89682 0.00924 0.22863 1.00000 C91 C 0.87466 0.55190 0.84344 1.00000 C92 C 0.12534 0.44810 0.15656 1.00000 C93 C 0.43069 0.74118 0.37944 1.00000 C94 C 0.56931 0.25882 0.62056 1.00000 C95 C 0.78228 0.24082 0.93798 1.00000 C96 C 0.21772 0.75918 0.06202 1.00000 Xe1 Xe 0.69569 0.84578 0.72048 1.00000 Xe2 Xe 0.30431 0.15422 0.27952 1.00000 Cl1 Cl 0.38525 0.28186 0.84824 1.00000 Cl2 Cl 0.61475 0.71814 0.15176 1.00000 Cl3 Cl 0.18112 0.49542 0.89494 1.00000 Cl4 Cl 0.81888 0.50458 0.10506 1.00000 Cl5 Cl 0.02426 0.41126 0.59900 1.00000 Cl6 Cl 0.97574 0.58874 0.40100 1.00000 O1 O 0.75204 0.52538 0.79379 1.00000 O2 O 0.24796 0.47462 0.20621 1.00000 O3 O 0.39267 0.78163 0.44952 1.00000 O4 O 0.60733 0.21837 0.55048 1.00000 O5 O 0.73668 0.14015 0.95758 1.00000 O6 O 0.26332 0.85985 0.04242 1.00000 O7 O 0.94797 0.66280 0.85833 1.00000 O8 O 0.05203 0.33720 0.14167 1.00000 O9 O 0.54504 0.72976 0.40736 1.00000 O10 O 0.45496 0.27024 0.59264 1.00000 O11 O 0.80287 0.22789 0.85606 1.00000 O12 O 0.19713 0.77211 0.14394 1.00000