# CIF generated by HEAS from Alexandria entry agm071553497 data_agm071553497 _cell_length_a 10.32048 _cell_length_b 10.32048 _cell_length_c 10.32048 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1099.25919 _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 0.12500 0.12500 0.12500 1.00000 Zr2 Zr 0.37500 0.87500 0.62500 1.00000 Zr3 Zr 0.87500 0.62500 0.37500 1.00000 Zr4 Zr 0.62500 0.37500 0.87500 1.00000 Ti1 Ti 0.12500 0.61639 0.63361 1.00000 Ti2 Ti 0.37500 0.38361 0.13361 1.00000 Ti3 Ti 0.87500 0.11639 0.86639 1.00000 Ti4 Ti 0.62500 0.88361 0.36639 1.00000 Ti5 Ti 0.63361 0.12500 0.61639 1.00000 Ti6 Ti 0.13361 0.37500 0.38361 1.00000 Ti7 Ti 0.86639 0.87500 0.11639 1.00000 Ti8 Ti 0.36639 0.62500 0.88361 1.00000 Ti9 Ti 0.61639 0.63361 0.12500 1.00000 Ti10 Ti 0.38361 0.13361 0.37500 1.00000 Ti11 Ti 0.11639 0.86639 0.87500 1.00000 Ti12 Ti 0.88361 0.36639 0.62500 1.00000 Se1 Se 0.11421 0.86818 0.62611 1.00000 Se2 Se 0.38579 0.13182 0.12611 1.00000 Se3 Se 0.88579 0.36818 0.87389 1.00000 Se4 Se 0.61421 0.63182 0.37389 1.00000 Se5 Se 0.62611 0.11421 0.86818 1.00000 Se6 Se 0.12611 0.38579 0.13182 1.00000 Se7 Se 0.87389 0.88579 0.36818 1.00000 Se8 Se 0.37389 0.61421 0.63182 1.00000 Se9 Se 0.86818 0.62611 0.11421 1.00000 Se10 Se 0.13182 0.12611 0.38579 1.00000 Se11 Se 0.36818 0.87389 0.88579 1.00000 Se12 Se 0.63182 0.37389 0.61421 1.00000 Se13 Se 0.11818 0.86421 0.12389 1.00000 Se14 Se 0.38182 0.13579 0.62389 1.00000 Se15 Se 0.61818 0.63579 0.87611 1.00000 Se16 Se 0.88182 0.36421 0.37611 1.00000 Se17 Se 0.36421 0.37611 0.88182 1.00000 Se18 Se 0.63579 0.87611 0.61818 1.00000 Se19 Se 0.13579 0.62389 0.38182 1.00000 Se20 Se 0.86421 0.12389 0.11818 1.00000 Se21 Se 0.87611 0.61818 0.63579 1.00000 Se22 Se 0.37611 0.88182 0.36421 1.00000 Se23 Se 0.12389 0.11818 0.86421 1.00000 Se24 Se 0.62389 0.38182 0.13579 1.00000 S1 S 0.88091 0.88091 0.88091 1.00000 S2 S 0.61909 0.11909 0.38091 1.00000 S3 S 0.11909 0.38091 0.61909 1.00000 S4 S 0.38091 0.61909 0.11909 1.00000 S5 S 0.13091 0.63091 0.86909 1.00000 S6 S 0.36909 0.36909 0.36909 1.00000 S7 S 0.63091 0.86909 0.13091 1.00000 S8 S 0.86909 0.13091 0.63091 1.00000