# CIF generated by HEAS from Alexandria entry agm095925640 data_agm095925640 _cell_length_a 9.83523 _cell_length_b 9.69059 _cell_length_c 9.68193 _cell_angle_alpha 90.00422 _cell_angle_beta 88.73747 _cell_angle_gamma 89.99800 _cell_volume 922.55311 _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 Zr1 Zr 0.51175 0.98355 0.00866 1.00000 Zr2 Zr 0.48831 0.48362 0.49147 1.00000 Nb1 Nb 0.93056 0.29935 0.84541 1.00000 Nb2 Nb 0.08080 0.73698 0.17517 1.00000 Nb3 Nb 0.06957 0.79920 0.65458 1.00000 Nb4 Nb 0.91909 0.23706 0.32482 1.00000 Nb5 Nb 0.83335 0.92801 0.23494 1.00000 Nb6 Nb 0.15969 0.08290 0.76625 1.00000 Nb7 Nb 0.16664 0.42797 0.26494 1.00000 Nb8 Nb 0.84037 0.58303 0.73365 1.00000 Nb9 Nb 0.74711 0.17358 0.07951 1.00000 Nb10 Nb 0.24383 0.83657 0.93886 1.00000 Nb11 Nb 0.25306 0.67349 0.42034 1.00000 Nb12 Nb 0.75618 0.33648 0.56134 1.00000 Nb13 Nb 0.77398 0.66742 0.06459 1.00000 Nb14 Nb 0.22992 0.34867 0.93956 1.00000 Nb15 Nb 0.22592 0.16763 0.43544 1.00000 Nb16 Nb 0.77030 0.84875 0.56037 1.00000 Nb17 Nb 0.67415 0.08633 0.75264 1.00000 Nb18 Nb 0.32739 0.94379 0.26876 1.00000 Nb19 Nb 0.32575 0.58630 0.74730 1.00000 Nb20 Nb 0.67263 0.44366 0.23141 1.00000 Nb21 Nb 0.42806 0.26485 0.15823 1.00000 Nb22 Nb 0.57645 0.73072 0.84084 1.00000 Nb23 Nb 0.57199 0.76490 0.34181 1.00000 Nb24 Nb 0.42341 0.23085 0.65936 1.00000 H1 H 0.96376 0.65536 0.04255 1.00000 H2 H 0.05751 0.42752 0.92505 1.00000 H3 H 0.03618 0.15533 0.45724 1.00000 H4 H 0.94289 0.92734 0.57467 1.00000 H5 H 0.91691 0.25444 0.04433 1.00000 H6 H 0.07510 0.86391 0.02973 1.00000 H7 H 0.08326 0.75424 0.45571 1.00000 H8 H 0.92455 0.36430 0.47006 1.00000 H9 H 0.95247 0.04658 0.32885 1.00000 H10 H 0.01831 0.95070 0.76270 1.00000 H11 H 0.04749 0.54649 0.17098 1.00000 H12 H 0.98198 0.45103 0.73745 1.00000 H13 H 0.03852 0.60843 0.68128 1.00000 H14 H 0.97452 0.41459 0.26597 1.00000 H15 H 0.96177 0.10850 0.81912 1.00000 H16 H 0.02544 0.91460 0.23380 1.00000 H17 H 0.94742 0.74851 0.79390 1.00000 H18 H 0.11745 0.23144 0.26831 1.00000 H19 H 0.05256 0.24837 0.70618 1.00000 H20 H 0.88251 0.73141 0.23149 1.00000 H21 H 0.76753 0.11944 0.27526 1.00000 H22 H 0.16402 0.70679 0.80695 1.00000 H23 H 0.23250 0.61941 0.22455 1.00000 H24 H 0.83619 0.20655 0.69309 1.00000 H25 H 0.87179 0.54767 0.92434 1.00000 H26 H 0.10534 0.35834 0.09677 1.00000 H27 H 0.12748 0.04876 0.57557 1.00000 H28 H 0.89464 0.85789 0.40297 1.00000 H29 H 0.89499 0.04717 0.08958 1.00000 H30 H 0.12957 0.98860 0.93963 1.00000 H31 H 0.10503 0.54727 0.41016 1.00000 H32 H 0.87076 0.48832 0.56063 1.00000 H33 H 0.77032 0.72561 0.86973 1.00000 H34 H 0.30627 0.42128 0.12302 1.00000 H35 H 0.22963 0.22551 0.63043 1.00000 H36 H 0.69382 0.92140 0.37692 1.00000 H37 H 0.67228 0.99897 0.14328 1.00000 H38 H 0.32442 0.00020 0.85468 1.00000 H39 H 0.32776 0.49877 0.35663 1.00000 H40 H 0.67556 0.50044 0.64493 1.00000 H41 H 0.84749 0.85028 0.06113 1.00000 H42 H 0.09380 0.20864 0.92579 1.00000 H43 H 0.15189 0.35032 0.43874 1.00000 H44 H 0.90631 0.70843 0.57423 1.00000 H45 H 0.77361 0.41181 0.79864 1.00000 H46 H 0.15332 0.67010 0.01337 1.00000 H47 H 0.22649 0.91243 0.69937 1.00000 H48 H 0.84711 0.17013 0.48685 1.00000 H49 H 0.61894 0.24537 0.21305 1.00000 H50 H 0.38674 0.77211 0.77873 1.00000 H51 H 0.38120 0.74536 0.28676 1.00000 H52 H 0.61302 0.27219 0.72172 1.00000 H53 H 0.63903 0.81145 0.00391 1.00000 H54 H 0.28613 0.19431 0.04443 1.00000 H55 H 0.36055 0.31186 0.49659 1.00000 H56 H 0.71387 0.69434 0.45578 1.00000 H57 H 0.74529 0.23375 0.88731 1.00000 H58 H 0.25690 0.80572 0.13465 1.00000 H59 H 0.25491 0.73361 0.61263 1.00000 H60 H 0.74278 0.30524 0.36563 1.00000 H61 H 0.83889 0.50861 0.15276 1.00000 H62 H 0.21096 0.42636 0.75720 1.00000 H63 H 0.16116 0.00864 0.34754 1.00000 H64 H 0.78928 0.92677 0.74258 1.00000 H65 H 0.71648 0.02872 0.93577 1.00000 H66 H 0.30843 0.98443 0.06563 1.00000 H67 H 0.28356 0.52876 0.56410 1.00000 H68 H 0.69166 0.48424 0.43441 1.00000 H69 H 0.73683 0.36801 0.05901 1.00000 H70 H 0.28152 0.53728 0.93047 1.00000 H71 H 0.26314 0.86789 0.44096 1.00000 H72 H 0.71795 0.03727 0.56944 1.00000 H73 H 0.70744 0.64293 0.24948 1.00000 H74 H 0.30985 0.20638 0.82723 1.00000 H75 H 0.29255 0.14301 0.25059 1.00000 H76 H 0.69024 0.70678 0.67305 1.00000 H77 H 0.50590 0.12435 0.83333 1.00000 H78 H 0.49648 0.85846 0.18369 1.00000 H79 H 0.49404 0.62455 0.66682 1.00000 H80 H 0.50363 0.35829 0.31649 1.00000 H81 H 0.52953 0.06952 0.62899 1.00000 H82 H 0.47599 0.93329 0.38757 1.00000 H83 H 0.47008 0.56963 0.87134 1.00000 H84 H 0.52389 0.43338 0.11275 1.00000 H85 H 0.52794 0.57190 0.29684 1.00000 H86 H 0.43982 0.42606 0.69608 1.00000 H87 H 0.47211 0.07188 0.20338 1.00000 H88 H 0.56040 0.92594 0.80410 1.00000 H89 H 0.60747 0.59846 0.98179 1.00000 H90 H 0.42729 0.33500 0.98019 1.00000 H91 H 0.39249 0.09878 0.51821 1.00000 H92 H 0.57289 0.83520 0.51976 1.00000 H93 H 0.55021 0.19426 0.01955 1.00000 H94 H 0.43034 0.78302 0.98415 1.00000 H95 H 0.44988 0.69434 0.48051 1.00000 H96 H 0.56956 0.28301 0.51617 1.00000