# CIF generated by HEAS from Alexandria entry agm005287513 data_agm005287513 _cell_length_a 12.01125 _cell_length_b 12.01125 _cell_length_c 12.01125 _cell_angle_alpha 110.05286 _cell_angle_beta 109.65667 _cell_angle_gamma 108.70707 _cell_volume 1333.76644 _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 Sc1 Sc 0.19335 0.89507 0.70172 1.00000 Sc2 Sc 0.80665 0.10493 0.29828 1.00000 Sc3 Sc 0.19335 0.49162 0.29828 1.00000 Sc4 Sc 0.80665 0.50838 0.70172 1.00000 Sc5 Sc 0.70159 0.18678 0.88837 1.00000 Sc6 Sc 0.29841 0.81322 0.11163 1.00000 Sc7 Sc 0.29841 0.18678 0.48519 1.00000 Sc8 Sc 0.70159 0.81322 0.51481 1.00000 Sc9 Sc 0.88900 0.69680 0.19220 1.00000 Sc10 Sc 0.11100 0.30320 0.80780 1.00000 Sc11 Sc 0.49540 0.30320 0.19220 1.00000 Sc12 Sc 0.50460 0.69680 0.80780 1.00000 Zn1 Zn 0.19007 0.50000 0.69007 1.00000 Zn2 Zn 0.80993 0.50000 0.30993 1.00000 Zn3 Zn 0.69333 0.19333 0.50000 1.00000 Zn4 Zn 0.30667 0.80667 0.50000 1.00000 Zn5 Zn 0.50000 0.69159 0.19159 1.00000 Zn6 Zn 0.50000 0.30841 0.80841 1.00000 Zn7 Zn 0.46603 0.13938 0.91857 1.00000 Zn8 Zn 0.77919 0.86062 0.32665 1.00000 Zn9 Zn 0.22081 0.54746 0.08143 1.00000 Zn10 Zn 0.53397 0.45254 0.67335 1.00000 Zn11 Zn 0.91964 0.45770 0.14314 1.00000 Zn12 Zn 0.31457 0.77650 0.85686 1.00000 Zn13 Zn 0.08036 0.22350 0.53806 1.00000 Zn14 Zn 0.68543 0.54230 0.46194 1.00000 Zn15 Zn 0.14097 0.91398 0.45383 1.00000 Zn16 Zn 0.85903 0.31286 0.77301 1.00000 Zn17 Zn 0.53985 0.08602 0.22699 1.00000 Zn18 Zn 0.46015 0.68714 0.54617 1.00000 Zn19 Zn 0.53397 0.86062 0.08143 1.00000 Zn20 Zn 0.22081 0.13938 0.67335 1.00000 Zn21 Zn 0.77919 0.45254 0.91857 1.00000 Zn22 Zn 0.46603 0.54746 0.32665 1.00000 Zn23 Zn 0.08036 0.54230 0.85686 1.00000 Zn24 Zn 0.68543 0.22350 0.14314 1.00000 Zn25 Zn 0.91964 0.77650 0.46194 1.00000 Zn26 Zn 0.31457 0.45770 0.53806 1.00000 Zn27 Zn 0.85903 0.08602 0.54617 1.00000 Zn28 Zn 0.14097 0.68714 0.22699 1.00000 Zn29 Zn 0.46015 0.91398 0.77301 1.00000 Zn30 Zn 0.53985 0.31286 0.45383 1.00000 Zn31 Zn 0.26030 0.16505 0.90475 1.00000 Zn32 Zn 0.73970 0.83495 0.09525 1.00000 Zn33 Zn 0.26030 0.35554 0.09525 1.00000 Zn34 Zn 0.73970 0.64446 0.90475 1.00000 Zn35 Zn 0.90666 0.23818 0.14484 1.00000 Zn36 Zn 0.09334 0.76182 0.85516 1.00000 Zn37 Zn 0.09334 0.23818 0.33152 1.00000 Zn38 Zn 0.90666 0.76182 0.66848 1.00000 Zn39 Zn 0.13802 0.90957 0.22846 1.00000 Zn40 Zn 0.86198 0.09043 0.77154 1.00000 Zn41 Zn 0.31889 0.09043 0.22846 1.00000 Zn42 Zn 0.68111 0.90957 0.77154 1.00000 Zn43 Zn 0.32576 0.00303 0.00039 1.00000 Zn44 Zn 0.99736 0.99697 0.32273 1.00000 Zn45 Zn 0.00264 0.32537 0.99961 1.00000 Zn46 Zn 0.67424 0.67463 0.67727 1.00000 Zn47 Zn 0.67424 0.99697 0.99961 1.00000 Zn48 Zn 0.00264 0.00303 0.67727 1.00000 Zn49 Zn 0.99736 0.67463 0.00039 1.00000 Zn50 Zn 0.32576 0.32537 0.32273 1.00000 Zn51 Zn 0.40519 0.05662 0.65143 1.00000 Zn52 Zn 0.59481 0.94338 0.34857 1.00000 Zn53 Zn 0.40519 0.75376 0.34857 1.00000 Zn54 Zn 0.59481 0.24624 0.65143 1.00000 Zn55 Zn 0.65512 0.40284 0.05796 1.00000 Zn56 Zn 0.34488 0.59716 0.94204 1.00000 Zn57 Zn 0.34488 0.40284 0.74772 1.00000 Zn58 Zn 0.65512 0.59716 0.25228 1.00000 Zn59 Zn 0.05726 0.65183 0.40544 1.00000 Zn60 Zn 0.94274 0.34817 0.59456 1.00000 Zn61 Zn 0.75361 0.34817 0.40544 1.00000 Zn62 Zn 0.24639 0.65183 0.59456 1.00000 Zn63 Zn 0.40413 0.00000 0.40413 1.00000 Zn64 Zn 0.59587 0.00000 0.59587 1.00000 Zn65 Zn 0.41186 0.41186 0.00000 1.00000 Zn66 Zn 0.58814 0.58814 0.00000 1.00000 Zn67 Zn 0.00000 0.40437 0.40437 1.00000 Zn68 Zn 0.00000 0.59563 0.59563 1.00000 Zn69 Zn 0.08607 0.99616 0.91009 1.00000 Zn70 Zn 0.91393 0.00384 0.08991 1.00000 Zn71 Zn 0.08607 0.17598 0.08991 1.00000 Zn72 Zn 0.91393 0.82402 0.91009 1.00000