# CIF generated by HEAS from Alexandria entry agm005225748 data_agm005225748 _cell_length_a 10.44709 _cell_length_b 10.47665 _cell_length_c 14.57670 _cell_angle_alpha 100.62798 _cell_angle_beta 90.12829 _cell_angle_gamma 106.19095 _cell_volume 1503.43001 _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 Ta1 Ta 0.99947 0.99687 0.99650 1.00000 Ta2 Ta 0.59912 0.39865 0.99776 1.00000 Ta3 Ta 0.08250 0.91953 0.20041 1.00000 Ta4 Ta 0.21053 0.81025 0.00076 1.00000 Ta5 Ta 0.56082 0.44350 0.39946 1.00000 Ta6 Ta 0.67930 0.31826 0.20227 1.00000 Ta7 Ta 0.79477 0.19626 0.99999 1.00000 Ta8 Ta 0.03654 0.95899 0.59791 1.00000 Ta9 Ta 0.15540 0.83637 0.39954 1.00000 Ta10 Ta 0.28121 0.72147 0.20295 1.00000 Ta11 Ta 0.40989 0.61185 0.00127 1.00000 Ta12 Ta 0.52671 0.48250 0.79836 1.00000 Ta13 Ta 0.65251 0.37133 0.60171 1.00000 Ta14 Ta 0.77167 0.25079 0.40175 1.00000 Ta15 Ta 0.87766 0.12002 0.20283 1.00000 Ta16 Ta 0.11810 0.87976 0.80016 1.00000 Ta17 Ta 0.23761 0.75843 0.59984 1.00000 Ta18 Ta 0.35756 0.63606 0.39957 1.00000 Ta19 Ta 0.47935 0.52272 0.20072 1.00000 Ta20 Ta 0.71859 0.28154 0.80276 1.00000 Ta21 Ta 0.85014 0.16993 0.60165 1.00000 Ta22 Ta 0.96184 0.04080 0.39976 1.00000 Ta23 Ta 0.97356 0.48514 0.56567 1.00000 Ta24 Ta 0.32727 0.69000 0.80251 1.00000 Ta25 Ta 0.44276 0.56018 0.59802 1.00000 Ta26 Ta 0.91836 0.07598 0.79909 1.00000 Ta27 Ta 0.53180 0.92677 0.96474 1.00000 S1 S 0.97665 0.78110 0.04896 1.00000 S2 S 0.21670 0.03966 0.08468 1.00000 S3 S 0.44970 0.30067 0.25058 1.00000 S4 S 0.56171 0.17358 0.04937 1.00000 S5 S 0.69780 0.55352 0.28118 1.00000 S6 S 0.81327 0.42771 0.08312 1.00000 S7 S 0.92516 0.81980 0.44810 1.00000 S8 S 0.04842 0.69792 0.24773 1.00000 S9 S 0.17857 0.58895 0.04852 1.00000 S10 S 0.17823 0.06915 0.48324 1.00000 S11 S 0.29664 0.95437 0.28728 1.00000 S12 S 0.42621 0.84598 0.09578 1.00000 S13 S 0.41776 0.34346 0.64900 1.00000 S14 S 0.54181 0.22834 0.45300 1.00000 S15 S 0.65118 0.10310 0.25582 1.00000 S16 S 0.76303 0.97397 0.04925 1.00000 S17 S 0.66145 0.60174 0.68317 1.00000 S18 S 0.78213 0.49141 0.47999 1.00000 S19 S 0.90110 0.35669 0.28059 1.00000 S20 S 0.88792 0.85508 0.84832 1.00000 S21 S 0.01064 0.22751 0.08234 1.00000 S22 S 0.00394 0.73300 0.64909 1.00000 S23 S 0.12218 0.61167 0.45037 1.00000 S24 S 0.24804 0.49852 0.24784 1.00000 S25 S 0.13446 0.11357 0.88260 1.00000 S26 S 0.37154 0.38736 0.04819 1.00000 S27 S 0.25254 0.98966 0.68110 1.00000 S28 S 0.37199 0.86830 0.48294 1.00000 S29 S 0.49790 0.75393 0.28681 1.00000 S30 S 0.48705 0.26166 0.84710 1.00000 S31 S 0.62309 0.63340 0.08481 1.00000 S32 S 0.61798 0.14921 0.64804 1.00000 S33 S 0.73560 0.03169 0.45283 1.00000 S34 S 0.85017 0.89999 0.25016 1.00000 S35 S 0.74053 0.51394 0.88613 1.00000 S36 S 0.86742 0.40391 0.69652 1.00000 S37 S 0.99756 0.27668 0.48100 1.00000 S38 S 0.09784 0.15286 0.28152 1.00000 S39 S 0.09791 0.66424 0.85314 1.00000 S40 S 0.20861 0.53838 0.65156 1.00000 S41 S 0.33114 0.41681 0.44939 1.00000 S42 S 0.33885 0.93040 0.87860 1.00000 S43 S 0.45624 0.79392 0.68028 1.00000 S44 S 0.57523 0.67642 0.48238 1.00000 S45 S 0.68141 0.05344 0.84841 1.00000 S46 S 0.80863 0.94469 0.64760 1.00000 S47 S 0.93406 0.30729 0.88551 1.00000 S48 S 0.06233 0.19242 0.68606 1.00000 S49 S 0.29838 0.47112 0.85173 1.00000 S50 S 0.55413 0.71757 0.87975 1.00000