# CIF generated by HEAS from Alexandria entry agm005222709 data_agm005222709 _cell_length_a 12.20459 _cell_length_b 13.04288 _cell_length_c 18.37965 _cell_angle_alpha 90.00000 _cell_angle_beta 110.63846 _cell_angle_gamma 90.00000 _cell_volume 2737.96206 _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 Si1 Si 0.36918 0.25211 0.54449 1.00000 Si2 Si 0.36918 0.24789 0.04449 1.00000 Si3 Si 0.63082 0.74789 0.45551 1.00000 Si4 Si 0.63082 0.75211 0.95551 1.00000 Si5 Si 0.46639 0.14067 0.71211 1.00000 Si6 Si 0.46639 0.35933 0.21211 1.00000 Si7 Si 0.53361 0.85933 0.28789 1.00000 Si8 Si 0.53361 0.64067 0.78789 1.00000 Si9 Si 0.06875 0.36110 0.68313 1.00000 Si10 Si 0.06875 0.13890 0.18313 1.00000 Si11 Si 0.93125 0.63890 0.31687 1.00000 Si12 Si 0.93125 0.86110 0.81687 1.00000 Si13 Si 0.90299 0.23649 0.53172 1.00000 Si14 Si 0.90299 0.26351 0.03172 1.00000 Si15 Si 0.09701 0.76351 0.46828 1.00000 Si16 Si 0.09701 0.73649 0.96828 1.00000 Sb1 Sb 0.17100 0.14388 0.60569 1.00000 Sb2 Sb 0.17100 0.35612 0.10569 1.00000 Sb3 Sb 0.82900 0.85612 0.39431 1.00000 Sb4 Sb 0.82900 0.64388 0.89431 1.00000 H1 H 0.33622 0.29111 0.66639 1.00000 H2 H 0.33622 0.20889 0.16639 1.00000 H3 H 0.66378 0.70889 0.33361 1.00000 H4 H 0.66378 0.79111 0.83361 1.00000 H5 H 0.42895 0.15878 0.44698 1.00000 H6 H 0.42895 0.34122 0.94698 1.00000 H7 H 0.57105 0.84122 0.55302 1.00000 H8 H 0.57105 0.65878 0.05302 1.00000 H9 H 0.35255 0.07524 0.48846 1.00000 H10 H 0.35255 0.42476 0.98846 1.00000 H11 H 0.64745 0.92476 0.51154 1.00000 H12 H 0.64745 0.57524 0.01154 1.00000 H13 H 0.50187 0.10476 0.54033 1.00000 H14 H 0.50187 0.39524 0.04033 1.00000 H15 H 0.49813 0.89524 0.45967 1.00000 H16 H 0.49813 0.60476 0.95967 1.00000 H17 H 0.56603 0.33857 0.60358 1.00000 H18 H 0.56603 0.16143 0.10358 1.00000 H19 H 0.43397 0.66143 0.39642 1.00000 H20 H 0.43397 0.83857 0.89642 1.00000 H21 H 0.44923 0.42714 0.58688 1.00000 H22 H 0.44923 0.07286 0.08688 1.00000 H23 H 0.55077 0.57286 0.41312 1.00000 H24 H 0.55077 0.92714 0.91312 1.00000 H25 H 0.48787 0.38305 0.50782 1.00000 H26 H 0.48787 0.11695 0.00782 1.00000 H27 H 0.51213 0.61695 0.49218 1.00000 H28 H 0.51213 0.88305 0.99218 1.00000 H29 H 0.25031 0.31935 0.41453 1.00000 H30 H 0.25031 0.18065 0.91453 1.00000 H31 H 0.74969 0.68065 0.58547 1.00000 H32 H 0.74969 0.81935 0.08547 1.00000 H33 H 0.19778 0.37074 0.48516 1.00000 H34 H 0.19778 0.12926 0.98516 1.00000 H35 H 0.80222 0.62926 0.51484 1.00000 H36 H 0.80222 0.87074 0.01484 1.00000 H37 H 0.15899 0.24416 0.44926 1.00000 H38 H 0.15899 0.25584 0.94926 1.00000 H39 H 0.84101 0.75584 0.55074 1.00000 H40 H 0.84101 0.74416 0.05074 1.00000 H41 H 0.39182 0.14253 0.82342 1.00000 H42 H 0.39182 0.35747 0.32342 1.00000 H43 H 0.60818 0.85747 0.17658 1.00000 H44 H 0.60818 0.64253 0.67658 1.00000 H45 H 0.48668 0.24853 0.82860 1.00000 H46 H 0.48668 0.25147 0.32860 1.00000 H47 H 0.51332 0.75147 0.17140 1.00000 H48 H 0.51332 0.74853 0.67140 1.00000 H49 H 0.54618 0.12410 0.85566 1.00000 H50 H 0.54618 0.37590 0.35566 1.00000 H51 H 0.45382 0.87590 0.14434 1.00000 H52 H 0.45382 0.62410 0.64434 1.00000 H53 H 0.63696 0.25745 0.72793 1.00000 H54 H 0.63696 0.24255 0.22793 1.00000 H55 H 0.36304 0.74255 0.27207 1.00000 H56 H 0.36304 0.75745 0.77207 1.00000 H57 H 0.62855 0.16299 0.65634 1.00000 H58 H 0.62855 0.33701 0.15634 1.00000 H59 H 0.37145 0.83701 0.34366 1.00000 H60 H 0.37145 0.66299 0.84366 1.00000 H61 H 0.68229 0.12998 0.75623 1.00000 H62 H 0.68229 0.37002 0.25623 1.00000 H63 H 0.31771 0.87002 0.24377 1.00000 H64 H 0.31771 0.62998 0.74377 1.00000 H65 H 0.51587 0.95543 0.73197 1.00000 H66 H 0.51587 0.54457 0.23197 1.00000 H67 H 0.48413 0.04457 0.26803 1.00000 H68 H 0.48413 0.45543 0.76803 1.00000 H69 H 0.44138 0.98019 0.63175 1.00000 H70 H 0.44138 0.51981 0.13175 1.00000 H71 H 0.55862 0.01981 0.36825 1.00000 H72 H 0.55862 0.48019 0.86825 1.00000 H73 H 0.36175 0.97160 0.69637 1.00000 H74 H 0.36175 0.52840 0.19637 1.00000 H75 H 0.63825 0.02840 0.30363 1.00000 H76 H 0.63825 0.47160 0.80363 1.00000 H77 H 0.08774 0.32844 0.55747 1.00000 H78 H 0.08774 0.17156 0.05747 1.00000 H79 H 0.91226 0.67156 0.44253 1.00000 H80 H 0.91226 0.82844 0.94253 1.00000 H81 H 0.21841 0.41993 0.80527 1.00000 H82 H 0.21841 0.08007 0.30527 1.00000 H83 H 0.78159 0.58007 0.19473 1.00000 H84 H 0.78159 0.91993 0.69473 1.00000 H85 H 0.28180 0.41012 0.73259 1.00000 H86 H 0.28180 0.08988 0.23259 1.00000 H87 H 0.71820 0.58988 0.26741 1.00000 H88 H 0.71820 0.91012 0.76741 1.00000 H89 H 0.25939 0.29761 0.78068 1.00000 H90 H 0.25939 0.20239 0.28068 1.00000 H91 H 0.74061 0.70239 0.21932 1.00000 H92 H 0.74061 0.79761 0.71932 1.00000 H93 H 0.97760 0.36608 0.78390 1.00000 H94 H 0.97760 0.13392 0.28390 1.00000 H95 H 0.02240 0.63392 0.21610 1.00000 H96 H 0.02240 0.86608 0.71610 1.00000 H97 H 0.99897 0.23687 0.76053 1.00000 H98 H 0.99897 0.26313 0.26053 1.00000 H99 H 0.00103 0.76313 0.23947 1.00000 H100 H 0.00103 0.73687 0.73947 1.00000 H101 H 0.87879 0.30957 0.69861 1.00000 H102 H 0.87879 0.19043 0.19861 1.00000 H103 H 0.12121 0.69043 0.30139 1.00000 H104 H 0.12121 0.80957 0.80139 1.00000 H105 H 0.93481 0.50180 0.60649 1.00000 H106 H 0.93481 0.99820 0.10649 1.00000 H107 H 0.06519 0.49820 0.39351 1.00000 H108 H 0.06519 0.00180 0.89351 1.00000 H109 H 0.08299 0.52552 0.61682 1.00000 H110 H 0.08299 0.97448 0.11682 1.00000 H111 H 0.91701 0.47448 0.38318 1.00000 H112 H 0.91701 0.02552 0.88318 1.00000 H113 H 0.03468 0.54720 0.69616 1.00000 H114 H 0.03468 0.95280 0.19616 1.00000 H115 H 0.96532 0.45280 0.30384 1.00000 H116 H 0.96532 0.04720 0.80384 1.00000 H117 H 0.81364 0.17324 0.39566 1.00000 H118 H 0.81364 0.32676 0.89566 1.00000 H119 H 0.18636 0.82676 0.60434 1.00000 H120 H 0.18636 0.67324 0.10434 1.00000 H121 H 0.96040 0.13064 0.43593 1.00000 H122 H 0.96040 0.36936 0.93593 1.00000 H123 H 0.03960 0.86936 0.56407 1.00000 H124 H 0.03960 0.63064 0.06407 1.00000 H125 H 0.92963 0.25940 0.40323 1.00000 H126 H 0.92963 0.24060 0.90323 1.00000 H127 H 0.07037 0.74060 0.59677 1.00000 H128 H 0.07037 0.75940 0.09677 1.00000 H129 H 0.81605 0.40936 0.48586 1.00000 H130 H 0.81605 0.09064 0.98586 1.00000 H131 H 0.18395 0.59064 0.51414 1.00000 H132 H 0.18395 0.90936 0.01414 1.00000 H133 H 0.78175 0.37122 0.56821 1.00000 H134 H 0.78175 0.12878 0.06821 1.00000 H135 H 0.21825 0.62878 0.43179 1.00000 H136 H 0.21825 0.87122 0.93179 1.00000 H137 H 0.70649 0.31541 0.47601 1.00000 H138 H 0.70649 0.18459 0.97601 1.00000 H139 H 0.29351 0.68459 0.52399 1.00000 H140 H 0.29351 0.81541 0.02399 1.00000 H141 H 0.76343 0.10177 0.53829 1.00000 H142 H 0.76343 0.39823 0.03829 1.00000 H143 H 0.23657 0.89823 0.46171 1.00000 H144 H 0.23657 0.60177 0.96171 1.00000 H145 H 0.84867 0.14258 0.63396 1.00000 H146 H 0.84867 0.35742 0.13396 1.00000 H147 H 0.15133 0.85742 0.36604 1.00000 H148 H 0.15133 0.64258 0.86604 1.00000 H149 H 0.90904 0.05692 0.58314 1.00000 H150 H 0.90904 0.44308 0.08314 1.00000 H151 H 0.09096 0.94308 0.41686 1.00000 H152 H 0.09096 0.55692 0.91686 1.00000 C1 C 0.34438 0.21799 0.63863 1.00000 C2 C 0.34438 0.28201 0.13863 1.00000 C3 C 0.65562 0.78201 0.36137 1.00000 C4 C 0.65562 0.71799 0.86137 1.00000 C5 C 0.41830 0.13686 0.50193 1.00000 C6 C 0.41830 0.36314 0.00193 1.00000 C7 C 0.58170 0.86314 0.49807 1.00000 C8 C 0.58170 0.63686 0.99807 1.00000 C9 C 0.47889 0.35964 0.56299 1.00000 C10 C 0.47889 0.14036 0.06299 1.00000 C11 C 0.52111 0.64036 0.43701 1.00000 C12 C 0.52111 0.85964 0.93701 1.00000 C13 C 0.23083 0.30039 0.46710 1.00000 C14 C 0.23083 0.19961 0.96710 1.00000 C15 C 0.76917 0.69961 0.53290 1.00000 C16 C 0.76917 0.80039 0.03290 1.00000 C17 C 0.47226 0.16653 0.81440 1.00000 C18 C 0.47226 0.33347 0.31440 1.00000 C19 C 0.52774 0.83347 0.18560 1.00000 C20 C 0.52774 0.66653 0.68560 1.00000 C21 C 0.61658 0.17655 0.71202 1.00000 C22 C 0.61658 0.32345 0.21202 1.00000 C23 C 0.38342 0.82345 0.28798 1.00000 C24 C 0.38342 0.67655 0.78798 1.00000 C25 C 0.44344 0.99906 0.69053 1.00000 C26 C 0.44344 0.50094 0.19053 1.00000 C27 C 0.55656 0.00094 0.30947 1.00000 C28 C 0.55656 0.49906 0.80947 1.00000 C29 C 0.05687 0.27858 0.59506 1.00000 C30 C 0.05687 0.22142 0.09506 1.00000 C31 C 0.94313 0.72142 0.40494 1.00000 C32 C 0.94313 0.77858 0.90494 1.00000 C33 C 0.22182 0.37203 0.75676 1.00000 C34 C 0.22182 0.12797 0.25676 1.00000 C35 C 0.77818 0.62797 0.24324 1.00000 C36 C 0.77818 0.87203 0.74324 1.00000 C37 C 0.97156 0.31344 0.73587 1.00000 C38 C 0.97156 0.18656 0.23587 1.00000 C39 C 0.02844 0.68656 0.26413 1.00000 C40 C 0.02844 0.81344 0.76413 1.00000 C41 C 0.02563 0.49604 0.64677 1.00000 C42 C 0.02563 0.00396 0.14677 1.00000 C43 C 0.97437 0.50396 0.35323 1.00000 C44 C 0.97437 0.99604 0.85323 1.00000 C45 C 0.90247 0.19639 0.43288 1.00000 C46 C 0.90247 0.30361 0.93288 1.00000 C47 C 0.09753 0.80361 0.56712 1.00000 C48 C 0.09753 0.69639 0.06712 1.00000 C49 C 0.79235 0.34348 0.51466 1.00000 C50 C 0.79235 0.15652 0.01466 1.00000 C51 C 0.20765 0.65652 0.48534 1.00000 C52 C 0.20765 0.84348 0.98534 1.00000 C53 C 0.85202 0.12427 0.57645 1.00000 C54 C 0.85202 0.37573 0.07645 1.00000 C55 C 0.14798 0.87573 0.42355 1.00000 C56 C 0.14798 0.62427 0.92355 1.00000 Cl1 Cl 0.16939 0.08515 0.73097 1.00000 Cl2 Cl 0.16939 0.41485 0.23097 1.00000 Cl3 Cl 0.83061 0.91485 0.26903 1.00000 Cl4 Cl 0.83061 0.58515 0.76903 1.00000