# CIF generated by HEAS from Alexandria entry agm017187027 data_agm017187027 _cell_length_a 12.51306 _cell_length_b 12.51306 _cell_length_c 3.89817 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 528.58961 _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 Th1 Th 0.81182 0.81182 0.00000 1.00000 Th2 Th 0.18818 0.00000 0.00000 1.00000 Th3 Th 0.00000 0.18818 0.00000 1.00000 Th4 Th 0.66667 0.33333 0.50000 1.00000 Th5 Th 0.33333 0.66667 0.50000 1.00000 Zr1 Zr 0.43102 0.43102 0.50000 1.00000 Zr2 Zr 0.56898 0.00000 0.50000 1.00000 Zr3 Zr 0.00000 0.56898 0.50000 1.00000 Ni1 Ni 0.27252 0.27252 0.00000 1.00000 Ni2 Ni 0.72748 0.00000 0.00000 1.00000 Ni3 Ni 0.00000 0.72748 0.00000 1.00000 Ni4 Ni 0.81171 0.62324 0.50000 1.00000 Ni5 Ni 0.37676 0.18847 0.50000 1.00000 Ni6 Ni 0.81153 0.18829 0.50000 1.00000 Ni7 Ni 0.18847 0.37676 0.50000 1.00000 Ni8 Ni 0.18829 0.81153 0.50000 1.00000 Ni9 Ni 0.62324 0.81171 0.50000 1.00000 Ni10 Ni 0.63456 0.51270 0.00000 1.00000 Ni11 Ni 0.48730 0.12186 0.00000 1.00000 Ni12 Ni 0.87814 0.36544 0.00000 1.00000 Ni13 Ni 0.12186 0.48730 0.00000 1.00000 Ni14 Ni 0.36544 0.87814 0.00000 1.00000 Ni15 Ni 0.51270 0.63456 0.00000 1.00000 Ni16 Ni 0.00000 0.00000 0.50000 1.00000 P1 P 0.18132 0.18132 0.50000 1.00000 P2 P 0.81868 0.00000 0.50000 1.00000 P3 P 0.00000 0.81868 0.50000 1.00000 P4 P 0.82989 0.52813 0.00000 1.00000 P5 P 0.47187 0.30177 0.00000 1.00000 P6 P 0.69823 0.17011 0.00000 1.00000 P7 P 0.30177 0.47187 0.00000 1.00000 P8 P 0.17011 0.69823 0.00000 1.00000 P9 P 0.52813 0.82989 0.00000 1.00000 P10 P 0.63317 0.63317 0.50000 1.00000 P11 P 0.36683 0.00000 0.50000 1.00000 P12 P 0.00000 0.36683 0.50000 1.00000