# CIF generated by HEAS from Alexandria entry agm005103585 data_agm005103585 _cell_length_a 3.28257 _cell_length_b 3.28257 _cell_length_c 8.04294 _cell_angle_alpha 78.17813 _cell_angle_beta 78.17813 _cell_angle_gamma 59.99292 _cell_volume 72.91847 _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 0.49973 0.49973 0.50019 1.00000 Ti1 Ti 0.06351 0.06351 0.81064 1.00000 Ti2 Ti 0.26957 0.26957 0.19049 1.00000 S1 S 0.66719 0.66719 0.99868 1.00000