# CIF generated by HEAS from Alexandria entry agm006229554 data_agm006229554 _cell_length_a 13.21082 _cell_length_b 9.08884 _cell_length_c 13.41920 _cell_angle_alpha 69.76027 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1511.76855 _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 0.91917 0.83738 0.21714 1.00000 Si2 Si 0.42987 0.90353 0.50788 1.00000 Si3 Si 0.07013 0.90353 0.00788 1.00000 Si4 Si 0.57013 0.09647 0.49212 1.00000 Si5 Si 0.92987 0.09647 0.99212 1.00000 Si6 Si 0.58083 0.83738 0.71714 1.00000 Si7 Si 0.08083 0.16262 0.78286 1.00000 Si8 Si 0.41917 0.16262 0.28286 1.00000 H1 H 0.15295 0.31518 0.93774 1.00000 H2 H 0.61629 0.84736 0.93488 1.00000 H3 H 0.38371 0.15264 0.06512 1.00000 H4 H 0.51197 0.70587 0.44205 1.00000 H5 H 0.48803 0.29413 0.55795 1.00000 H6 H 0.75424 0.05257 0.51660 1.00000 H7 H 0.91857 0.93800 0.77257 1.00000 H8 H 0.81192 0.57436 0.40372 1.00000 H9 H 0.84705 0.68482 0.06226 1.00000 H10 H 0.78900 0.98748 0.91331 1.00000 H11 H 0.73290 0.49557 0.32788 1.00000 H12 H 0.24449 0.45064 0.86073 1.00000 H13 H 0.72981 0.19120 0.38916 1.00000 H14 H 0.01197 0.29413 0.05795 1.00000 H15 H 0.51199 0.52468 0.69450 1.00000 H16 H 0.34705 0.31518 0.43774 1.00000 H17 H 0.99594 0.19277 0.50262 1.00000 H18 H 0.76710 0.49557 0.82788 1.00000 H19 H 0.91537 0.38208 0.96358 1.00000 H20 H 0.98801 0.52468 0.19450 1.00000 H21 H 0.27019 0.80880 0.61084 1.00000 H22 H 0.46753 0.52537 0.16668 1.00000 H23 H 0.08143 0.06200 0.22743 1.00000 H24 H 0.15683 0.75721 0.39854 1.00000 H25 H 0.41537 0.61792 0.53642 1.00000 H26 H 0.23290 0.50443 0.17212 1.00000 H27 H 0.93974 0.65910 0.46435 1.00000 H28 H 0.41011 0.02629 0.86614 1.00000 H29 H 0.26011 0.24670 0.88662 1.00000 H30 H 0.25551 0.45064 0.36073 1.00000 H31 H 0.00406 0.80723 0.49738 1.00000 H32 H 0.66681 0.94433 0.72090 1.00000 H33 H 0.35042 0.78230 0.76184 1.00000 H34 H 0.11629 0.15264 0.56512 1.00000 H35 H 0.43974 0.34090 0.03565 1.00000 H36 H 0.88227 0.26546 0.09496 1.00000 H37 H 0.74449 0.54936 0.63927 1.00000 H38 H 0.02617 0.90926 0.70183 1.00000 H39 H 0.22981 0.80880 0.11084 1.00000 H40 H 0.91011 0.97371 0.63386 1.00000 H41 H 0.85042 0.21770 0.73816 1.00000 H42 H 0.96753 0.47463 0.33332 1.00000 H43 H 0.83319 0.94433 0.22090 1.00000 H44 H 0.23989 0.24670 0.38662 1.00000 H45 H 0.84317 0.24279 0.60146 1.00000 H46 H 0.49594 0.80723 0.99738 1.00000 H47 H 0.33319 0.05567 0.27910 1.00000 H48 H 0.65295 0.68482 0.56226 1.00000 H49 H 0.74576 0.05257 0.01660 1.00000 H50 H 0.88874 0.39507 0.25778 1.00000 H51 H 0.40995 0.61863 0.85761 1.00000 H52 H 0.88371 0.84736 0.43488 1.00000 H53 H 0.58463 0.38208 0.46358 1.00000 H54 H 0.41857 0.06200 0.72743 1.00000 H55 H 0.11126 0.60493 0.74222 1.00000 H56 H 0.65683 0.24279 0.10146 1.00000 H57 H 0.64958 0.21770 0.23816 1.00000 H58 H 0.72231 0.69654 0.31393 1.00000 H59 H 0.56026 0.65910 0.96435 1.00000 H60 H 0.08463 0.61792 0.03642 1.00000 H61 H 0.58143 0.93800 0.27257 1.00000 H62 H 0.77769 0.69654 0.81393 1.00000 H63 H 0.28900 0.01252 0.58669 1.00000 H64 H 0.77019 0.19120 0.88916 1.00000 H65 H 0.27769 0.30346 0.68607 1.00000 H66 H 0.53247 0.47463 0.83332 1.00000 H67 H 0.09005 0.61863 0.35761 1.00000 H68 H 0.01199 0.47532 0.80550 1.00000 H69 H 0.16681 0.05567 0.77910 1.00000 H70 H 0.31192 0.42564 0.09628 1.00000 H71 H 0.25424 0.94743 0.98340 1.00000 H72 H 0.24576 0.94743 0.48340 1.00000 H73 H 0.73989 0.75330 0.11338 1.00000 H74 H 0.97383 0.09074 0.29817 1.00000 H75 H 0.98803 0.70587 0.94205 1.00000 H76 H 0.38874 0.60493 0.24222 1.00000 H77 H 0.90995 0.38137 0.64239 1.00000 H78 H 0.14958 0.78230 0.26184 1.00000 H79 H 0.68808 0.57436 0.90372 1.00000 H80 H 0.08989 0.02629 0.36614 1.00000 H81 H 0.38227 0.73454 0.40504 1.00000 H82 H 0.52617 0.09074 0.79817 1.00000 H83 H 0.18808 0.42564 0.59628 1.00000 H84 H 0.50406 0.19277 0.00262 1.00000 H85 H 0.75551 0.54936 0.13927 1.00000 H86 H 0.71100 0.98748 0.41331 1.00000 H87 H 0.58989 0.97371 0.13386 1.00000 H88 H 0.21100 0.01252 0.08669 1.00000 H89 H 0.61126 0.39507 0.75778 1.00000 H90 H 0.47383 0.90926 0.20183 1.00000 H91 H 0.59005 0.38137 0.14239 1.00000 H92 H 0.48801 0.47532 0.30550 1.00000 H93 H 0.61773 0.26546 0.59496 1.00000 H94 H 0.34317 0.75721 0.89854 1.00000 H95 H 0.03247 0.52537 0.66668 1.00000 H96 H 0.22231 0.30346 0.18607 1.00000 H97 H 0.26710 0.50443 0.67212 1.00000 H98 H 0.06026 0.34090 0.53565 1.00000 H99 H 0.11773 0.73454 0.90504 1.00000 H100 H 0.76011 0.75330 0.61338 1.00000 C1 C 0.60646 0.25571 0.16360 1.00000 C2 C 0.04431 0.21443 0.56322 1.00000 C3 C 0.04015 0.01529 0.30298 1.00000 C4 C 0.77667 0.60030 0.32540 1.00000 C5 C 0.54015 0.98471 0.19702 1.00000 C6 C 0.72333 0.60030 0.82540 1.00000 C7 C 0.56372 0.27605 0.53036 1.00000 C8 C 0.93628 0.27605 0.03036 1.00000 C9 C 0.49007 0.84224 0.82860 1.00000 C10 C 0.20310 0.91967 0.05226 1.00000 C11 C 0.45569 0.21443 0.06322 1.00000 C12 C 0.64538 0.63925 0.73446 1.00000 C13 C 0.89354 0.25571 0.66360 1.00000 C14 C 0.35462 0.36075 0.26554 1.00000 C15 C 0.85462 0.63925 0.23446 1.00000 C16 C 0.95985 0.98471 0.69702 1.00000 C17 C 0.45985 0.01529 0.80298 1.00000 C18 C 0.10646 0.74429 0.33640 1.00000 C19 C 0.50993 0.15776 0.17140 1.00000 C20 C 0.92941 0.50203 0.25623 1.00000 C21 C 0.57059 0.50203 0.75623 1.00000 C22 C 0.95569 0.78557 0.43678 1.00000 C23 C 0.42941 0.49797 0.24377 1.00000 C24 C 0.20356 0.34119 0.86887 1.00000 C25 C 0.22333 0.39970 0.67460 1.00000 C26 C 0.43628 0.72395 0.46964 1.00000 C27 C 0.99007 0.15776 0.67140 1.00000 C28 C 0.14538 0.36075 0.76554 1.00000 C29 C 0.29690 0.91967 0.55226 1.00000 C30 C 0.79690 0.08033 0.94774 1.00000 C31 C 0.70310 0.08033 0.44774 1.00000 C32 C 0.54431 0.78557 0.93678 1.00000 C33 C 0.70356 0.65881 0.63113 1.00000 C34 C 0.39354 0.74429 0.83640 1.00000 C35 C 0.06372 0.72395 0.96964 1.00000 C36 C 0.07059 0.49797 0.74377 1.00000 C37 C 0.27667 0.39970 0.17460 1.00000 C38 C 0.00993 0.84224 0.32860 1.00000 C39 C 0.79644 0.65881 0.13113 1.00000 C40 C 0.29644 0.34119 0.36887 1.00000 N1 N 0.02695 0.07643 0.90799 1.00000 N2 N 0.52695 0.92357 0.59201 1.00000 N3 N 0.47305 0.07643 0.40799 1.00000 N4 N 0.97305 0.92357 0.09201 1.00000