# CIF generated by HEAS from Alexandria entry agm005239596 data_agm005239596 _cell_length_a 3.27453 _cell_length_b 3.27453 _cell_length_c 2.89100 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 99.67733 _cell_volume 30.55777 _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 C1 C 0.97921 0.70341 0.00000 1.00000 C2 C 0.29659 0.02079 0.00000 1.00000 Ti1 Ti 0.47420 0.52580 0.50000 1.00000