# CIF generated by HEAS from Alexandria entry agm006229813 data_agm006229813 _cell_length_a 8.78003 _cell_length_b 11.15184 _cell_length_c 11.33463 _cell_angle_alpha 65.54004 _cell_angle_beta 71.41149 _cell_angle_gamma 73.57392 _cell_volume 942.76984 _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 0.30654 0.25584 0.77126 1.00000 V2 V 0.69346 0.74416 0.22874 1.00000 V3 V 0.62028 0.23258 0.54500 1.00000 V4 V 0.37972 0.76742 0.45500 1.00000 V5 V 0.64108 0.29238 0.78936 1.00000 V6 V 0.35892 0.70762 0.21064 1.00000 V7 V 0.67453 0.51901 0.50889 1.00000 V8 V 0.32547 0.48099 0.49111 1.00000 V9 V 0.64928 0.45697 0.26388 1.00000 V10 V 0.35072 0.54303 0.73612 1.00000 Ni1 Ni 0.21442 0.26453 0.21870 1.00000 Ni2 Ni 0.78558 0.73547 0.78130 1.00000 H1 H 0.03806 0.09861 0.25078 1.00000 H2 H 0.96194 0.90139 0.74922 1.00000 H3 H 0.94564 0.13984 0.37630 1.00000 H4 H 0.05436 0.86016 0.62370 1.00000 H5 H 0.22502 0.16685 0.46407 1.00000 H6 H 0.77498 0.83315 0.53593 1.00000 H7 H 0.37068 0.24837 0.39095 1.00000 H8 H 0.62932 0.75163 0.60905 1.00000 H9 H 0.13207 0.47726 0.30867 1.00000 H10 H 0.86793 0.52274 0.69133 1.00000 H11 H 0.98930 0.48169 0.24870 1.00000 H12 H 0.01070 0.51831 0.75130 1.00000 H13 H 0.43965 0.39281 0.01053 1.00000 H14 H 0.56035 0.60719 0.98947 1.00000 H15 H 0.42642 0.43599 0.13163 1.00000 H16 H 0.57358 0.56401 0.86837 1.00000 H17 H 0.12659 0.37783 0.97350 1.00000 H18 H 0.87341 0.62217 0.02650 1.00000 H19 H 0.96899 0.34696 0.09785 1.00000 H20 H 0.03101 0.65304 0.90215 1.00000 H21 H 0.39626 0.13557 0.04575 1.00000 H22 H 0.60374 0.86443 0.95425 1.00000 H23 H 0.33685 0.02353 0.18576 1.00000 H24 H 0.66315 0.97647 0.81424 1.00000 H25 H 0.04040 0.95357 0.14988 1.00000 H26 H 0.95960 0.04643 0.85012 1.00000 H27 H 0.06451 0.09279 0.03564 1.00000 H28 H 0.93549 0.90721 0.96436 1.00000 H29 H 0.95883 0.17530 0.61177 1.00000 H30 H 0.04117 0.82470 0.38823 1.00000 H31 H 0.08915 0.24662 0.61140 1.00000 H32 H 0.91085 0.75338 0.38860 1.00000 H33 H 0.67542 0.10488 0.32708 1.00000 H34 H 0.32458 0.89512 0.67292 1.00000 H35 H 0.78753 0.07627 0.18766 1.00000 H36 H 0.21247 0.92373 0.81234 1.00000 H37 H 0.59490 0.16678 0.19223 1.00000 H38 H 0.40510 0.83322 0.80777 1.00000 H39 H 0.62101 0.00061 0.27974 1.00000 H40 H 0.37899 0.99939 0.72026 1.00000 N1 N 0.66912 0.08750 0.24585 1.00000 N2 N 0.33088 0.91250 0.75415 1.00000 O1 O 0.17036 0.16089 0.86921 1.00000 O2 O 0.82964 0.83911 0.13079 1.00000 O3 O 0.72245 0.12721 0.46759 1.00000 O4 O 0.27755 0.87279 0.53241 1.00000 O5 O 0.75450 0.22249 0.89702 1.00000 O6 O 0.24550 0.77751 0.10298 1.00000 O7 O 0.79489 0.63298 0.38998 1.00000 O8 O 0.20511 0.36702 0.61002 1.00000 O9 O 0.78236 0.58444 0.18737 1.00000 O10 O 0.21764 0.41556 0.81263 1.00000 O11 O 0.51966 0.64509 0.58868 1.00000 O12 O 0.48034 0.35491 0.41132 1.00000 O13 O 0.75318 0.34823 0.19173 1.00000 O14 O 0.24682 0.65177 0.80827 1.00000 O15 O 0.49431 0.55518 0.16457 1.00000 O16 O 0.50569 0.44482 0.83543 1.00000 O17 O 0.44139 0.16033 0.66118 1.00000 O18 O 0.55861 0.83967 0.33882 1.00000 O19 O 0.46012 0.20529 0.87098 1.00000 O20 O 0.53988 0.79471 0.12902 1.00000 O21 O 0.72721 0.19154 0.67638 1.00000 O22 O 0.27279 0.80846 0.32362 1.00000 O23 O 0.76746 0.43147 0.64335 1.00000 O24 O 0.23254 0.56853 0.35665 1.00000 O25 O 0.51376 0.59573 0.38060 1.00000 O26 O 0.48624 0.40427 0.61940 1.00000 O27 O 0.73982 0.38584 0.42900 1.00000 O28 O 0.26018 0.61416 0.57100 1.00000 O29 O 0.05386 0.12856 0.31691 1.00000 O30 O 0.94614 0.87144 0.68309 1.00000 O31 O 0.31630 0.18678 0.38228 1.00000 O32 O 0.68370 0.81322 0.61772 1.00000 O33 O 0.08402 0.42349 0.28394 1.00000 O34 O 0.91598 0.57651 0.71606 1.00000 O35 O 0.41417 0.36246 0.10948 1.00000 O36 O 0.58583 0.63754 0.89052 1.00000 O37 O 0.08647 0.34941 0.07204 1.00000 O38 O 0.91353 0.65059 0.92796 1.00000 O39 O 0.36581 0.11276 0.14396 1.00000 O40 O 0.63419 0.88724 0.85604 1.00000 O41 O 0.01049 0.05010 0.13028 1.00000 O42 O 0.98951 0.94990 0.86972 1.00000 O43 O 0.07608 0.16477 0.60538 1.00000 O44 O 0.92392 0.83523 0.39462 1.00000