# CIF generated by HEAS from Alexandria entry agm003279331 data_agm003279331 _cell_length_a 7.05784 _cell_length_b 9.85588 _cell_length_c 12.27285 _cell_angle_alpha 90.00021 _cell_angle_beta 99.91721 _cell_angle_gamma 89.99985 _cell_volume 840.95769 _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 V1 V 0.68815 0.27229 0.35372 1.00000 V2 V 0.81186 0.77230 0.14631 1.00000 V3 V 0.31185 0.72771 0.64628 1.00000 V4 V 0.18814 0.22770 0.85369 1.00000 H1 H 0.25885 0.19360 0.09445 1.00000 H2 H 0.24114 0.69360 0.40553 1.00000 H3 H 0.74115 0.80640 0.90555 1.00000 H4 H 0.75886 0.30640 0.59447 1.00000 H5 H 0.28552 0.34852 0.06052 1.00000 H6 H 0.21446 0.84851 0.43946 1.00000 H7 H 0.71448 0.65148 0.93948 1.00000 H8 H 0.78554 0.15149 0.56054 1.00000 H9 H 0.72629 0.00685 0.34676 1.00000 H10 H 0.77374 0.50686 0.15328 1.00000 H11 H 0.27371 0.99315 0.65324 1.00000 H12 H 0.22626 0.49314 0.84672 1.00000 H13 H 0.95219 0.05991 0.36677 1.00000 H14 H 0.54782 0.55990 0.13326 1.00000 H15 H 0.04781 0.94009 0.63323 1.00000 H16 H 0.45218 0.44010 0.86674 1.00000 H17 H 0.05827 0.34645 0.43957 1.00000 H18 H 0.44173 0.84645 0.06045 1.00000 H19 H 0.94173 0.65355 0.56043 1.00000 H20 H 0.55827 0.15355 0.93955 1.00000 H21 H 0.99625 0.39563 0.30871 1.00000 H22 H 0.50376 0.89564 0.19130 1.00000 H23 H 0.00375 0.60437 0.69129 1.00000 H24 H 0.49624 0.10436 0.80870 1.00000 H25 H 0.45108 0.48814 0.35400 1.00000 H26 H 0.04893 0.98814 0.14604 1.00000 H27 H 0.54892 0.51186 0.64600 1.00000 H28 H 0.95107 0.01186 0.85396 1.00000 H29 H 0.65456 0.53105 0.42339 1.00000 H30 H 0.84547 0.03105 0.07664 1.00000 H31 H 0.34544 0.46895 0.57661 1.00000 H32 H 0.15453 0.96895 0.92336 1.00000 H33 H 0.71178 0.22879 0.10068 1.00000 H34 H 0.78821 0.72879 0.39932 1.00000 H35 H 0.28822 0.77121 0.89932 1.00000 H36 H 0.21179 0.27121 0.60068 1.00000 H37 H 0.82848 0.23863 0.99927 1.00000 H38 H 0.67153 0.73862 0.50075 1.00000 H39 H 0.17152 0.76137 0.00073 1.00000 H40 H 0.32847 0.26138 0.49925 1.00000 S1 S 0.32986 0.05702 0.31793 1.00000 S2 S 0.17014 0.55701 0.18209 1.00000 S3 S 0.67014 0.94298 0.68207 1.00000 S4 S 0.82986 0.44299 0.81791 1.00000 O1 O 0.65581 0.29211 0.21810 1.00000 O2 O 0.84417 0.79212 0.28194 1.00000 O3 O 0.34419 0.70789 0.78190 1.00000 O4 O 0.15583 0.20788 0.71806 1.00000 O5 O 0.76607 0.24518 0.53132 1.00000 O6 O 0.73397 0.74518 0.96870 1.00000 O7 O 0.23393 0.75482 0.46868 1.00000 O8 O 0.26603 0.25482 0.03130 1.00000 O9 O 0.42835 0.18554 0.36867 1.00000 O10 O 0.07168 0.68554 0.13137 1.00000 O11 O 0.57165 0.81446 0.63133 1.00000 O12 O 0.92832 0.31446 0.86863 1.00000 O13 O 0.81382 0.08536 0.36216 1.00000 O14 O 0.68618 0.58536 0.13785 1.00000 O15 O 0.18618 0.91464 0.63784 1.00000 O16 O 0.31382 0.41464 0.86215 1.00000 O17 O 0.94867 0.36874 0.37775 1.00000 O18 O 0.55133 0.86875 0.12226 1.00000 O19 O 0.05133 0.63126 0.62225 1.00000 O20 O 0.44867 0.13125 0.87774 1.00000 O21 O 0.57297 0.44976 0.39689 1.00000 O22 O 0.92705 0.94976 0.10314 1.00000 O23 O 0.42703 0.55024 0.60311 1.00000 O24 O 0.07295 0.05024 0.89686 1.00000 O25 O 0.23108 0.08661 0.20347 1.00000 O26 O 0.26892 0.58657 0.29656 1.00000 O27 O 0.76892 0.91339 0.79653 1.00000 O28 O 0.73108 0.41343 0.70344 1.00000 O29 O 0.18764 0.01683 0.38791 1.00000 O30 O 0.31236 0.51681 0.11211 1.00000 O31 O 0.81236 0.98317 0.61209 1.00000 O32 O 0.68764 0.48319 0.88789 1.00000 O33 O 0.47672 0.94923 0.31739 1.00000 O34 O 0.02327 0.44922 0.18262 1.00000 O35 O 0.52328 0.05077 0.68261 1.00000 O36 O 0.97673 0.55078 0.81738 1.00000 O37 O 0.74421 0.17967 0.03470 1.00000 O38 O 0.75579 0.67966 0.46531 1.00000 O39 O 0.25579 0.82033 0.96530 1.00000 O40 O 0.24421 0.32034 0.53469 1.00000