# CIF generated by HEAS from Alexandria entry agm095911272 data_agm095911272 _cell_length_a 12.46892 _cell_length_b 12.54599 _cell_length_c 12.28843 _cell_angle_alpha 90.18138 _cell_angle_beta 89.83681 _cell_angle_gamma 92.76505 _cell_volume 1920.08726 _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 Li1 Li 0.95267 0.81370 0.39076 1.00000 Li2 Li 0.97746 0.21443 0.64774 1.00000 Li3 Li 0.48074 0.30451 0.89226 1.00000 Li4 Li 0.50056 0.73851 0.12365 1.00000 Li5 Li 0.07536 0.18773 0.13671 1.00000 Li6 Li 0.98162 0.73327 0.89688 1.00000 Li7 Li 0.46045 0.71437 0.61077 1.00000 Li8 Li 0.49879 0.21004 0.38915 1.00000 Li9 Li 0.62569 0.97735 0.21221 1.00000 Li10 Li 0.37298 0.99255 0.71915 1.00000 Li11 Li 0.11140 0.43468 0.66165 1.00000 Li12 Li 0.86674 0.47496 0.22000 1.00000 Li13 Li 0.86793 0.02913 0.75985 1.00000 Li14 Li 0.11411 0.01346 0.30926 1.00000 Li15 Li 0.36681 0.52656 0.25088 1.00000 Li16 Li 0.61263 0.52417 0.78835 1.00000 Li17 Li 0.76438 0.60330 0.99014 1.00000 Li18 Li 0.25032 0.38485 0.01355 1.00000 Li19 Li 0.25371 0.11372 0.49468 1.00000 Li20 Li 0.79909 0.89119 0.55533 1.00000 Li21 Li 0.21568 0.87317 0.00589 1.00000 Li22 Li 0.72659 0.11563 0.98983 1.00000 Li23 Li 0.72716 0.36571 0.49129 1.00000 Li24 Li 0.23294 0.61235 0.49223 1.00000 Ca1 Ca 0.01158 0.74204 0.14460 1.00000 Ca2 Ca 0.98297 0.24778 0.89427 1.00000 Ca3 Ca 0.00723 0.25312 0.38151 1.00000 Ca4 Ca 0.49647 0.22742 0.12260 1.00000 Ca5 Ca 0.51964 0.25858 0.63656 1.00000 Ca6 Ca 0.48991 0.74209 0.37782 1.00000 Ca7 Ca 0.46705 0.76293 0.86147 1.00000 Ca8 Ca 0.99754 0.71987 0.62057 1.00000 Ca9 Ca 0.87765 0.00851 0.21238 1.00000 Ca10 Ca 0.12916 0.98952 0.76695 1.00000 Ca11 Ca 0.62417 0.98244 0.70956 1.00000 Ca12 Ca 0.86886 0.47589 0.73799 1.00000 Ca13 Ca 0.36030 0.49140 0.73981 1.00000 Ca14 Ca 0.62385 0.49229 0.25999 1.00000 Ca15 Ca 0.12492 0.47880 0.21679 1.00000 Ca16 Ca 0.37132 0.97832 0.23883 1.00000 Ca17 Ca 0.73106 0.86910 0.96842 1.00000 Ca18 Ca 0.26214 0.13207 0.96799 1.00000 Ca19 Ca 0.24751 0.63119 0.00764 1.00000 Ca20 Ca 0.26984 0.85547 0.50712 1.00000 Ca21 Ca 0.28411 0.37361 0.47179 1.00000 Ca22 Ca 0.75860 0.62087 0.46637 1.00000 Ca23 Ca 0.74812 0.11940 0.49357 1.00000 Ca24 Ca 0.74558 0.35711 0.99698 1.00000 Cd1 Cd 0.98395 0.95947 0.98624 1.00000 Cd2 Cd 0.73968 0.24761 0.24908 1.00000 Cd3 Cd 0.50913 0.99763 0.46635 1.00000 Cd4 Cd 0.77099 0.72555 0.75558 1.00000 Cd5 Cd 0.00114 0.00999 0.52228 1.00000 Cd6 Cd 0.74214 0.76238 0.23105 1.00000 Cd7 Cd 0.47515 0.99385 0.98190 1.00000 Cd8 Cd 0.74495 0.24421 0.76120 1.00000 Cd9 Cd 0.49721 0.52366 0.00616 1.00000 Cd10 Cd 0.24866 0.74316 0.26712 1.00000 Cd11 Cd 0.96959 0.49590 0.00180 1.00000 Cd12 Cd 0.22692 0.74140 0.75575 1.00000 Cd13 Cd 0.98246 0.49215 0.47362 1.00000 Cd14 Cd 0.26811 0.22862 0.26028 1.00000 Cd15 Cd 0.50807 0.50041 0.51706 1.00000 Cd16 Cd 0.23346 0.25653 0.73351 1.00000 H1 H 0.00836 0.89582 0.26857 1.00000 H2 H 0.00284 0.05711 0.66439 1.00000 H3 H 0.91240 0.19330 0.52323 1.00000 H4 H 0.66585 0.21629 0.08779 1.00000 H5 H 0.48133 0.94290 0.82461 1.00000 H6 H 0.51778 0.04960 0.14105 1.00000 H7 H 0.69484 0.73487 0.09371 1.00000 H8 H 0.85678 0.76895 0.50265 1.00000 H9 H 0.00884 0.12091 0.26472 1.00000 H10 H 0.98152 0.04720 0.85582 1.00000 H11 H 0.78875 0.72319 0.90436 1.00000 H12 H 0.46561 0.85433 0.53732 1.00000 H13 H 0.48293 0.06579 0.63923 1.00000 H14 H 0.40824 0.15556 0.26660 1.00000 H15 H 0.80597 0.27678 0.39383 1.00000 H16 H 0.83733 0.20962 0.98525 1.00000 H17 H 0.73600 0.99950 0.09182 1.00000 H18 H 0.33559 0.97762 0.04694 1.00000 H19 H 0.35383 0.81599 0.70078 1.00000 H20 H 0.23648 0.60623 0.81086 1.00000 H21 H 0.13005 0.49309 0.02349 1.00000 H22 H 0.73626 0.50221 0.11111 1.00000 H23 H 0.87610 0.72436 0.27549 1.00000 H24 H 0.51394 0.85313 0.22769 1.00000 H25 H 0.72871 0.01422 0.86087 1.00000 H26 H 0.14192 0.98545 0.95434 1.00000 H27 H 0.16874 0.73722 0.39369 1.00000 H28 H 0.37928 0.68022 0.23535 1.00000 H29 H 0.28232 0.49463 0.12837 1.00000 H30 H 0.73764 0.49816 0.87011 1.00000 H31 H 0.64014 0.81588 0.79174 1.00000 H32 H 0.09087 0.80596 0.76949 1.00000 H33 H 0.92298 0.65181 0.00880 1.00000 H34 H 0.84320 0.34418 0.84757 1.00000 H35 H 0.35278 0.35680 0.27526 1.00000 H36 H 0.21593 0.11803 0.16392 1.00000 H37 H 0.09339 0.09605 0.44605 1.00000 H38 H 0.05564 0.87032 0.52228 1.00000 H39 H 0.73799 0.90016 0.28239 1.00000 H40 H 0.65201 0.67554 0.32014 1.00000 H41 H 0.11365 0.74574 0.99484 1.00000 H42 H 0.98014 0.08607 0.07297 1.00000 H43 H 0.87458 0.98279 0.43805 1.00000 H44 H 0.78341 0.52027 0.32522 1.00000 H45 H 0.08499 0.38286 0.50425 1.00000 H46 H 0.97913 0.63821 0.44752 1.00000 H47 H 0.15983 0.65092 0.17252 1.00000 H48 H 0.22192 0.85952 0.17128 1.00000 H49 H 0.51133 0.40377 0.77672 1.00000 H50 H 0.50391 0.56600 0.15214 1.00000 H51 H 0.41273 0.69608 0.01540 1.00000 H52 H 0.17669 0.71855 0.59726 1.00000 H53 H 0.98015 0.42632 0.32877 1.00000 H54 H 0.01964 0.54281 0.64063 1.00000 H55 H 0.19926 0.24569 0.59134 1.00000 H56 H 0.35777 0.28090 0.01827 1.00000 H57 H 0.47431 0.63467 0.73681 1.00000 H58 H 0.47867 0.54814 0.35627 1.00000 H59 H 0.20269 0.22603 0.39869 1.00000 H60 H 0.13688 0.25458 0.00784 1.00000 H61 H 0.98050 0.55763 0.16731 1.00000 H62 H 0.93037 0.64876 0.77374 1.00000 H63 H 0.29099 0.79145 0.90529 1.00000 H64 H 0.35901 0.69693 0.50078 1.00000 H65 H 0.24407 0.49437 0.59718 1.00000 H66 H 0.84291 0.47103 0.53811 1.00000 H67 H 0.84068 0.32807 0.17072 1.00000 H68 H 0.73983 0.10151 0.28757 1.00000 H69 H 0.65888 0.94976 0.52717 1.00000 H70 H 0.24846 0.99981 0.61739 1.00000 H71 H 0.37703 0.24821 0.77112 1.00000 H72 H 0.00031 0.34238 0.72459 1.00000 H73 H 0.23785 0.51238 0.36329 1.00000 H74 H 0.64785 0.47617 0.44401 1.00000 H75 H 0.63719 0.24370 0.87013 1.00000 H76 H 0.87712 0.17388 0.75294 1.00000 H77 H 0.78860 0.01339 0.63830 1.00000 H78 H 0.25029 0.00082 0.37901 1.00000 H79 H 0.11550 0.30226 0.22773 1.00000 H80 H 0.59446 0.30248 0.26946 1.00000 H81 H 0.39595 0.23615 0.49748 1.00000 H82 H 0.35728 0.84702 0.35384 1.00000 H83 H 0.85928 0.83545 0.69743 1.00000 H84 H 0.73378 0.60824 0.67018 1.00000 H85 H 0.58028 0.61684 0.91921 1.00000 H86 H 0.55223 0.38000 0.02020 1.00000 H87 H 0.20822 0.39165 0.79008 1.00000 H88 H 0.14430 0.16767 0.81685 1.00000 H89 H 0.61846 0.24441 0.48584 1.00000 H90 H 0.57723 0.66052 0.51918 1.00000 H91 H 0.36201 0.49264 0.93218 1.00000 H92 H 0.28824 0.02976 0.82800 1.00000 H93 H 0.54914 0.86237 0.00258 1.00000 H94 H 0.46426 0.14197 0.95391 1.00000 H95 H 0.66132 0.15180 0.65845 1.00000 H96 H 0.71632 0.35796 0.65761 1.00000