# CIF generated by HEAS from Alexandria entry agm002000556 data_agm002000556 _cell_length_a 3.64470 _cell_length_b 3.64470 _cell_length_c 8.89819 _cell_angle_alpha 78.18219 _cell_angle_beta 78.18219 _cell_angle_gamma 60.00000 _cell_volume 99.46272 _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 S1 S 0.10515 0.10515 0.68457 1.00000 S2 S 0.89485 0.89485 0.31543 1.00000 Se1 Se 0.50000 0.50000 0.50000 1.00000 Th1 Th 0.00000 0.00000 0.00000 1.00000