# CIF generated by HEAS from Alexandria entry agm005670146 data_agm005670146 _cell_length_a 4.29253 _cell_length_b 4.29253 _cell_length_c 5.33371 _cell_angle_alpha 66.27379 _cell_angle_beta 66.27379 _cell_angle_gamma 90.00318 _cell_volume 80.81416 _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 Ti1 Ti 0.13852 0.88857 0.72291 1.00000 Ti2 Ti 0.86148 0.11143 0.27709 1.00000 Ti3 Ti 0.61143 0.36148 0.77709 1.00000 Ti4 Ti 0.38857 0.63852 0.22291 1.00000 C1 C 0.62501 0.87499 0.75000 1.00000 C2 C 0.37499 0.12501 0.25000 1.00000 O1 O 0.12497 0.37503 0.75000 1.00000 O2 O 0.87503 0.62497 0.25000 1.00000