# CIF generated by HEAS from Alexandria entry agm009242591 data_agm009242591 _cell_length_a 7.82768 _cell_length_b 7.82768 _cell_length_c 20.23451 _cell_angle_alpha 76.69178 _cell_angle_beta 76.69178 _cell_angle_gamma 68.37633 _cell_volume 1107.04193 _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 0.10488 0.10488 0.33881 1.00000 Sc2 Sc 0.43935 0.43935 0.67452 1.00000 Sc3 Sc 0.78643 0.78643 0.00872 1.00000 Sc4 Sc 0.89512 0.89512 0.66119 1.00000 Sc5 Sc 0.21357 0.21357 0.99128 1.00000 Sc6 Sc 0.56065 0.56065 0.32548 1.00000 Sc7 Sc 0.75046 0.75046 0.51922 1.00000 Sc8 Sc 0.08051 0.08051 0.86511 1.00000 Sc9 Sc 0.42151 0.42151 0.17922 1.00000 Sc10 Sc 0.24954 0.24954 0.48078 1.00000 Sc11 Sc 0.57849 0.57849 0.82078 1.00000 Sc12 Sc 0.91949 0.91949 0.13489 1.00000 Sc13 Sc 0.81903 0.41562 0.44109 1.00000 Sc14 Sc 0.15231 0.75247 0.77768 1.00000 Sc15 Sc 0.48324 0.08284 0.10548 1.00000 Sc16 Sc 0.58438 0.18097 0.55891 1.00000 Sc17 Sc 0.91716 0.51676 0.89452 1.00000 Sc18 Sc 0.24753 0.84769 0.22232 1.00000 Sc19 Sc 0.18097 0.58438 0.55891 1.00000 Sc20 Sc 0.51676 0.91716 0.89452 1.00000 Sc21 Sc 0.84769 0.24753 0.22232 1.00000 Sc22 Sc 0.41562 0.81903 0.44109 1.00000 Sc23 Sc 0.75247 0.15231 0.77768 1.00000 Sc24 Sc 0.08284 0.48324 0.10548 1.00000 Sc25 Sc 0.31372 0.89855 0.60445 1.00000 Sc26 Sc 0.65714 0.21690 0.94213 1.00000 Sc27 Sc 0.97842 0.56776 0.26683 1.00000 Sc28 Sc 0.10145 0.68628 0.39555 1.00000 Sc29 Sc 0.43224 0.02158 0.73317 1.00000 Sc30 Sc 0.78310 0.34286 0.05787 1.00000 Sc31 Sc 0.89855 0.31372 0.60445 1.00000 Sc32 Sc 0.21690 0.65714 0.94213 1.00000 Sc33 Sc 0.56776 0.97842 0.26683 1.00000 Sc34 Sc 0.68628 0.10145 0.39555 1.00000 Sc35 Sc 0.02158 0.43224 0.73317 1.00000 Sc36 Sc 0.34286 0.78310 0.05787 1.00000 Tl1 Tl 0.00000 0.00000 0.50000 1.00000 Tl2 Tl 0.33371 0.33371 0.83424 1.00000 Tl3 Tl 0.66629 0.66629 0.16576 1.00000 Tl4 Tl 0.33362 0.33362 0.32973 1.00000 Tl5 Tl 0.66638 0.66638 0.67027 1.00000 Ni1 Ni 0.45294 0.45294 0.45188 1.00000 Ni2 Ni 0.78439 0.78439 0.78628 1.00000 Ni3 Ni 0.11965 0.11965 0.11819 1.00000 Ni4 Ni 0.54706 0.54706 0.54812 1.00000 Ni5 Ni 0.88035 0.88035 0.88181 1.00000 Ni6 Ni 0.21561 0.21561 0.21372 1.00000 Ni7 Ni 0.00000 0.00000 0.00000 1.00000 Ni8 Ni 0.74664 0.74664 0.37602 1.00000 Ni9 Ni 0.08041 0.08041 0.70998 1.00000 Ni10 Ni 0.41604 0.41604 0.04193 1.00000 Ni11 Ni 0.25336 0.25336 0.62398 1.00000 Ni12 Ni 0.58396 0.58396 0.95807 1.00000 Ni13 Ni 0.91959 0.91959 0.29002 1.00000