# CIF generated by HEAS from Alexandria entry agm005114451 data_agm005114451 _cell_length_a 4.05931 _cell_length_b 4.05931 _cell_length_c 8.10926 _cell_angle_alpha 75.50539 _cell_angle_beta 75.50539 _cell_angle_gamma 60.00000 _cell_volume 110.78399 _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 K1 K 0.49650 0.49650 0.51051 1.00000 Th1 Th 0.66799 0.66799 0.99601 1.00000 S1 S 0.07199 0.07199 0.78403 1.00000 S2 S 0.26352 0.26352 0.20945 1.00000