# CIF generated by HEAS from Alexandria entry agm005116749 data_agm005116749 _cell_length_a 3.28571 _cell_length_b 3.28571 _cell_length_c 9.13129 _cell_angle_alpha 79.63519 _cell_angle_beta 79.63519 _cell_angle_gamma 60.00000 _cell_volume 83.51047 _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 0.07014 0.07014 0.78957 1.00000 Zr2 Zr 0.26316 0.26316 0.21052 1.00000 Sc1 Sc 0.49968 0.49968 0.50096 1.00000 Ni1 Ni 0.66702 0.66702 0.99894 1.00000