# CIF generated by HEAS from Alexandria entry agm072145196 data_agm072145196 _cell_length_a 5.73123 _cell_length_b 5.83441 _cell_length_c 7.50838 _cell_angle_alpha 73.96248 _cell_angle_beta 82.10692 _cell_angle_gamma 80.98544 _cell_volume 237.14338 _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 0.00000 0.00000 0.00000 1.00000 Sc1 Sc 0.33868 0.66801 0.33172 1.00000 Sc2 Sc 0.66132 0.33199 0.66828 1.00000 Sc3 Sc 0.76956 0.91794 0.45723 1.00000 Sc4 Sc 0.43724 0.24843 0.12496 1.00000 Sc5 Sc 0.10668 0.58053 0.79154 1.00000 Sc6 Sc 0.23044 0.08206 0.54277 1.00000 Sc7 Sc 0.56276 0.75157 0.87504 1.00000 Sc8 Sc 0.89332 0.41947 0.20846 1.00000 C1 C 0.55236 0.28493 0.39302 1.00000 C2 C 0.88903 0.95095 0.72808 1.00000 C3 C 0.21968 0.62238 0.05818 1.00000 C4 C 0.44764 0.71507 0.60698 1.00000 C5 C 0.11097 0.04905 0.27192 1.00000 C6 C 0.78032 0.37762 0.94182 1.00000