# CIF generated by HEAS from Alexandria entry agm005228751 data_agm005228751 _cell_length_a 15.39265 _cell_length_b 7.71906 _cell_length_c 11.54617 _cell_angle_alpha 64.90421 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1242.37365 _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 B1 B 0.36195 0.64690 0.01918 1.00000 B2 B 0.13805 0.64690 0.51918 1.00000 B3 B 0.63805 0.35310 0.98082 1.00000 B4 B 0.86195 0.35310 0.48082 1.00000 B5 B 0.36288 0.42648 0.15753 1.00000 B6 B 0.13712 0.42648 0.65753 1.00000 B7 B 0.63712 0.57352 0.84247 1.00000 B8 B 0.86288 0.57352 0.34247 1.00000 B9 B 0.26263 0.53188 0.08793 1.00000 B10 B 0.23737 0.53188 0.58793 1.00000 B11 B 0.73737 0.46812 0.91207 1.00000 B12 B 0.76263 0.46812 0.41207 1.00000 B13 B 0.26620 0.78470 0.00147 1.00000 B14 B 0.23380 0.78470 0.50147 1.00000 B15 B 0.73380 0.21530 0.99853 1.00000 B16 B 0.76620 0.21530 0.49853 1.00000 B17 B 0.43264 0.62137 0.14413 1.00000 B18 B 0.06736 0.62137 0.64413 1.00000 B19 B 0.56736 0.37863 0.85587 1.00000 B20 B 0.93264 0.37863 0.35587 1.00000 B21 B 0.38409 0.46280 0.29279 1.00000 B22 B 0.11591 0.46280 0.79279 1.00000 B23 B 0.61591 0.53720 0.70721 1.00000 B24 B 0.88409 0.53720 0.20721 1.00000 B25 B 0.27311 0.43743 0.25425 1.00000 B26 B 0.22689 0.43743 0.75425 1.00000 B27 B 0.72689 0.56257 0.74575 1.00000 B28 B 0.77311 0.56257 0.24575 1.00000 B29 B 0.20952 0.67371 0.15074 1.00000 B30 B 0.29048 0.67371 0.65074 1.00000 B31 B 0.79048 0.32629 0.84926 1.00000 B32 B 0.70952 0.32629 0.34926 1.00000 B33 B 0.26685 0.89426 0.10389 1.00000 B34 B 0.23315 0.89426 0.60389 1.00000 B35 B 0.73315 0.10574 0.89611 1.00000 B36 B 0.76685 0.10574 0.39611 1.00000 B37 B 0.36804 0.85708 0.04184 1.00000 B38 B 0.13196 0.85708 0.54184 1.00000 B39 B 0.63196 0.14292 0.95816 1.00000 B40 B 0.86804 0.14292 0.45816 1.00000 H1 H 0.39766 0.65399 0.92540 1.00000 H2 H 0.10234 0.65399 0.42540 1.00000 H3 H 0.60234 0.34601 0.07460 1.00000 H4 H 0.89766 0.34601 0.57460 1.00000 H5 H 0.38795 0.28309 0.15341 1.00000 H6 H 0.11205 0.28309 0.65341 1.00000 H7 H 0.61205 0.71691 0.84659 1.00000 H8 H 0.88795 0.71691 0.34659 1.00000 H9 H 0.21542 0.44166 0.05213 1.00000 H10 H 0.28458 0.44166 0.55213 1.00000 H11 H 0.78458 0.55834 0.94787 1.00000 H12 H 0.71542 0.55834 0.44787 1.00000 H13 H 0.23164 0.86165 0.89965 1.00000 H14 H 0.26836 0.86165 0.39965 1.00000 H15 H 0.76836 0.13835 0.10035 1.00000 H16 H 0.73164 0.13835 0.60035 1.00000 H17 H 0.50974 0.62452 0.13471 1.00000 H18 H 0.99026 0.62452 0.63471 1.00000 H19 H 0.49026 0.37548 0.86529 1.00000 H20 H 0.00974 0.37548 0.36529 1.00000 H21 H 0.23253 0.30417 0.32672 1.00000 H22 H 0.26747 0.30417 0.82672 1.00000 H23 H 0.76747 0.69583 0.67328 1.00000 H24 H 0.73253 0.69583 0.17328 1.00000 H25 H 0.13292 0.66996 0.16626 1.00000 H26 H 0.36708 0.66996 0.66626 1.00000 H27 H 0.86708 0.33004 0.83374 1.00000 H28 H 0.63292 0.33004 0.33374 1.00000 H29 H 0.23755 0.04389 0.09129 1.00000 H30 H 0.26245 0.04389 0.59129 1.00000 H31 H 0.76245 0.95611 0.90871 1.00000 H32 H 0.73755 0.95611 0.40871 1.00000 H33 H 0.41030 0.99241 0.97581 1.00000 H34 H 0.08970 0.99241 0.47581 1.00000 H35 H 0.58970 0.00759 0.02419 1.00000 H36 H 0.91030 0.00759 0.52419 1.00000 H37 H 0.41577 0.64825 0.24639 1.00000 H38 H 0.08423 0.64825 0.74639 1.00000 H39 H 0.58423 0.35175 0.75361 1.00000 H40 H 0.91577 0.35175 0.25361 1.00000 H41 H 0.30496 0.52272 0.32128 1.00000 H42 H 0.19504 0.52272 0.82128 1.00000 H43 H 0.69504 0.47728 0.67872 1.00000 H44 H 0.80496 0.47728 0.17872 1.00000 H45 H 0.23959 0.76487 0.21783 1.00000 H46 H 0.26041 0.76487 0.71783 1.00000 H47 H 0.76041 0.23513 0.78217 1.00000 H48 H 0.73959 0.23513 0.28217 1.00000 H49 H 0.34890 0.88907 0.14359 1.00000 H50 H 0.15110 0.88907 0.64359 1.00000 H51 H 0.65110 0.11093 0.85641 1.00000 H52 H 0.84890 0.11093 0.35641 1.00000 C1 C 0.45602 0.24431 0.51143 1.00000 C2 C 0.04398 0.24431 0.01143 1.00000 C3 C 0.54398 0.75569 0.48857 1.00000 C4 C 0.95602 0.75569 0.98857 1.00000 S1 S 0.49347 0.10635 0.64577 1.00000 S2 S 0.00653 0.10635 0.14577 1.00000 S3 S 0.50653 0.89365 0.35423 1.00000 S4 S 0.99347 0.89365 0.85423 1.00000 N1 N 0.42771 0.34774 0.40849 1.00000 N2 N 0.07229 0.34774 0.90849 1.00000 N3 N 0.57229 0.65226 0.59151 1.00000 N4 N 0.92771 0.65226 0.09151 1.00000