# CIF generated by HEAS from Alexandria entry agm005196801 data_agm005196801 _cell_length_a 3.12147 _cell_length_b 3.12187 _cell_length_c 5.78284 _cell_angle_alpha 89.99467 _cell_angle_beta 105.67068 _cell_angle_gamma 120.00515 _cell_volume 46.36674 _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 0.48316 0.13958 0.63819 1.00000 Ti1 Ti 0.11687 0.95631 0.08787 1.00000 C1 C 0.32083 0.55835 0.89443 1.00000 O1 O 0.95704 0.37656 0.34917 1.00000