# CIF generated by HEAS from Alexandria entry agm005278513 data_agm005278513 _cell_length_a 8.08083 _cell_length_b 11.79670 _cell_length_c 9.67187 _cell_angle_alpha 112.96291 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 848.93118 _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 0.95307 0.87581 0.74475 1.00000 H2 H 0.04693 0.12419 0.25525 1.00000 H3 H 0.45307 0.12419 0.75525 1.00000 H4 H 0.54693 0.87581 0.24475 1.00000 H5 H 0.41612 0.90649 0.89579 1.00000 H6 H 0.58388 0.09351 0.10421 1.00000 H7 H 0.91612 0.09351 0.60421 1.00000 H8 H 0.08388 0.90649 0.39579 1.00000 H9 H 0.73000 0.56027 0.93215 1.00000 H10 H 0.27000 0.43973 0.06785 1.00000 H11 H 0.23000 0.43973 0.56785 1.00000 H12 H 0.77000 0.56027 0.43215 1.00000 H13 H 0.52644 0.60265 0.91736 1.00000 H14 H 0.47356 0.39735 0.08264 1.00000 H15 H 0.02644 0.39735 0.58264 1.00000 H16 H 0.97356 0.60265 0.41736 1.00000 H17 H 0.39883 0.77528 0.72611 1.00000 H18 H 0.60117 0.22472 0.27389 1.00000 H19 H 0.89883 0.22472 0.77389 1.00000 H20 H 0.10117 0.77528 0.22611 1.00000 H21 H 0.59370 0.70095 0.58039 1.00000 H22 H 0.40630 0.29905 0.41961 1.00000 H23 H 0.09370 0.29905 0.91961 1.00000 H24 H 0.90630 0.70095 0.08039 1.00000 H25 H 0.58747 0.23072 0.89596 1.00000 H26 H 0.41253 0.76928 0.10404 1.00000 H27 H 0.08747 0.76928 0.60404 1.00000 H28 H 0.91253 0.23072 0.39596 1.00000 C1 C 0.84276 0.72833 0.58766 1.00000 C2 C 0.15724 0.27167 0.41234 1.00000 C3 C 0.34276 0.27167 0.91234 1.00000 C4 C 0.65724 0.72833 0.08766 1.00000 C5 C 0.63313 0.84840 0.77995 1.00000 C6 C 0.36687 0.15160 0.22005 1.00000 C7 C 0.13313 0.15160 0.72005 1.00000 C8 C 0.86687 0.84840 0.27995 1.00000 S1 S 0.75398 0.95995 0.90007 1.00000 S2 S 0.24602 0.04005 0.09993 1.00000 S3 S 0.25398 0.04005 0.59993 1.00000 S4 S 0.74602 0.95995 0.40007 1.00000 I1 I 0.67754 0.37588 0.56325 1.00000 I2 I 0.32246 0.62412 0.43675 1.00000 I3 I 0.17754 0.62412 0.93675 1.00000 I4 I 0.82246 0.37588 0.06325 1.00000 N1 N 0.47138 0.84106 0.80359 1.00000 N2 N 0.52862 0.15894 0.19641 1.00000 N3 N 0.97138 0.15894 0.69641 1.00000 N4 N 0.02862 0.84106 0.30359 1.00000 N5 N 0.68713 0.75534 0.64772 1.00000 N6 N 0.31287 0.24466 0.35228 1.00000 N7 N 0.18713 0.24466 0.85228 1.00000 N8 N 0.81287 0.75534 0.14772 1.00000 N9 N 0.97201 0.79884 0.64798 1.00000 N10 N 0.02799 0.20116 0.35202 1.00000 N11 N 0.47201 0.20116 0.85202 1.00000 N12 N 0.52799 0.79884 0.14798 1.00000 N13 N 0.64245 0.62787 0.96073 1.00000 N14 N 0.35755 0.37213 0.03927 1.00000 N15 N 0.14245 0.37213 0.53927 1.00000 N16 N 0.85755 0.62787 0.46073 1.00000