# CIF generated by HEAS from Alexandria entry agm005189409 data_agm005189409 _cell_length_a 3.21223 _cell_length_b 3.21223 _cell_length_c 7.14034 _cell_angle_alpha 91.18225 _cell_angle_beta 102.86990 _cell_angle_gamma 117.32394 _cell_volume 63.16683 _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 0.82674 0.27522 0.10196 1.00000 H1 H 0.50176 0.62171 0.12347 1.00000 Se1 Se 0.35036 0.04211 0.39248 1.00000 S1 S 0.01326 0.86537 0.87863 1.00000