# CIF generated by HEAS from Alexandria entry agm005539366 data_agm005539366 _cell_length_a 3.23519 _cell_length_b 3.23519 _cell_length_c 6.12198 _cell_angle_alpha 105.32104 _cell_angle_beta 105.32104 _cell_angle_gamma 90.00000 _cell_volume 59.43379 _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 0.16673 0.16673 0.33346 1.00000 Ti2 Ti 0.91673 0.41673 0.83346 1.00000 S1 S 0.75072 0.75072 0.50144 1.00000 S2 S 0.50072 0.00072 0.00144 1.00000