# CIF generated by HEAS from Alexandria entry agm005237882 data_agm005237882 _cell_length_a 7.12842 _cell_length_b 8.65619 _cell_length_c 13.69443 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 845.01403 _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 0.54492 0.52329 0.81147 1.00000 H2 H 0.75000 0.72373 0.21448 1.00000 H3 H 0.12413 0.84574 0.18464 1.00000 H4 H 0.57777 0.57911 0.09325 1.00000 H5 H 0.07728 0.87006 0.40468 1.00000 H6 H 0.87587 0.34574 0.31536 1.00000 H7 H 0.62350 0.87749 0.80841 1.00000 H8 H 0.12350 0.12251 0.19159 1.00000 H9 H 0.25000 0.27627 0.78552 1.00000 H10 H 0.62413 0.15426 0.81536 1.00000 H11 H 0.92223 0.92089 0.59325 1.00000 H12 H 0.07777 0.42089 0.90675 1.00000 H13 H 0.07728 0.62994 0.90468 1.00000 H14 H 0.87650 0.87749 0.80841 1.00000 H15 H 0.04492 0.47671 0.18853 1.00000 H16 H 0.07777 0.07911 0.40675 1.00000 H17 H 0.92223 0.57911 0.09325 1.00000 H18 H 0.42272 0.62994 0.90468 1.00000 H19 H 0.92272 0.12994 0.59532 1.00000 H20 H 0.57728 0.12994 0.59532 1.00000 H21 H 0.25000 0.22373 0.28552 1.00000 H22 H 0.75000 0.26527 0.72493 1.00000 H23 H 0.57728 0.37006 0.09532 1.00000 H24 H 0.37587 0.65426 0.68464 1.00000 H25 H 0.75000 0.23473 0.22493 1.00000 H26 H 0.95508 0.52329 0.81147 1.00000 H27 H 0.75000 0.77627 0.71448 1.00000 H28 H 0.37650 0.12251 0.19159 1.00000 H29 H 0.37650 0.37749 0.69159 1.00000 H30 H 0.45508 0.02329 0.68853 1.00000 H31 H 0.95508 0.97671 0.31147 1.00000 H32 H 0.87650 0.62251 0.30841 1.00000 H33 H 0.54492 0.97671 0.31147 1.00000 H34 H 0.12350 0.37749 0.69159 1.00000 H35 H 0.62350 0.62251 0.30841 1.00000 H36 H 0.37587 0.84574 0.18464 1.00000 H37 H 0.12413 0.65426 0.68464 1.00000 H38 H 0.25000 0.76527 0.77507 1.00000 H39 H 0.57777 0.92089 0.59325 1.00000 H40 H 0.42272 0.87006 0.40468 1.00000 H41 H 0.92272 0.37006 0.09532 1.00000 H42 H 0.42223 0.07911 0.40675 1.00000 H43 H 0.87587 0.15426 0.81536 1.00000 H44 H 0.42223 0.42089 0.90675 1.00000 H45 H 0.25000 0.73473 0.27507 1.00000 H46 H 0.62413 0.34574 0.31536 1.00000 H47 H 0.04492 0.02329 0.68853 1.00000 H48 H 0.45508 0.47671 0.18853 1.00000 C1 C 0.25000 0.65950 0.73068 1.00000 C2 C 0.75000 0.62277 0.26286 1.00000 C3 C 0.25000 0.37723 0.73714 1.00000 C4 C 0.57715 0.02440 0.63969 1.00000 C5 C 0.92285 0.02440 0.63969 1.00000 C6 C 0.25000 0.84050 0.23068 1.00000 C7 C 0.25000 0.12277 0.23714 1.00000 C8 C 0.07715 0.97560 0.36031 1.00000 C9 C 0.92285 0.47560 0.13969 1.00000 C10 C 0.75000 0.87723 0.76286 1.00000 C11 C 0.07715 0.52440 0.86031 1.00000 C12 C 0.75000 0.15950 0.76932 1.00000 C13 C 0.42285 0.97560 0.36031 1.00000 C14 C 0.57715 0.47560 0.13969 1.00000 C15 C 0.75000 0.34050 0.26932 1.00000 C16 C 0.42285 0.52440 0.86031 1.00000 I1 I 0.25000 0.46002 0.46658 1.00000 I2 I 0.75000 0.53998 0.53342 1.00000 I3 I 0.75000 0.96002 0.03342 1.00000 I4 I 0.25000 0.03998 0.96658 1.00000 N1 N 0.25000 0.52187 0.79748 1.00000 N2 N 0.75000 0.47813 0.20252 1.00000 N3 N 0.25000 0.97813 0.29748 1.00000 N4 N 0.75000 0.02187 0.70252 1.00000 O1 O 0.05131 0.17392 0.97893 1.00000 O2 O 0.05131 0.32608 0.47893 1.00000 O3 O 0.25000 0.00154 0.83522 1.00000 O4 O 0.55131 0.67392 0.52107 1.00000 O5 O 0.94869 0.82608 0.02107 1.00000 O6 O 0.55131 0.82608 0.02107 1.00000 O7 O 0.94869 0.67392 0.52107 1.00000 O8 O 0.44869 0.32608 0.47893 1.00000 O9 O 0.75000 0.50154 0.66478 1.00000 O10 O 0.25000 0.49846 0.33522 1.00000 O11 O 0.44869 0.17392 0.97893 1.00000 O12 O 0.75000 0.99846 0.16478 1.00000