# CIF generated by HEAS from Alexandria entry agm005103591 data_agm005103591 _cell_length_a 3.60222 _cell_length_b 3.60222 _cell_length_c 6.68569 _cell_angle_alpha 74.37158 _cell_angle_beta 74.37158 _cell_angle_gamma 60.00000 _cell_volume 71.40313 _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 Tm1 Tm 0.49562 0.49562 0.51315 1.00000 Ti1 Ti 0.67260 0.67260 0.98220 1.00000 S1 S 0.07439 0.07439 0.77682 1.00000 S2 S 0.25739 0.25739 0.22782 1.00000