# CIF generated by HEAS from Alexandria entry agm005674776 data_agm005674776 _cell_length_a 4.21639 _cell_length_b 4.21639 _cell_length_c 7.61864 _cell_angle_alpha 90.00003 _cell_angle_beta 90.00000 _cell_angle_gamma 59.99998 _cell_volume 117.29788 _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 Th1 Th 0.66667 0.66667 0.19996 1.00000 Th2 Th 0.33333 0.33333 0.80004 1.00000 Hg1 Hg 0.00000 0.00000 0.50000 1.00000 Ir1 Ir 0.00000 0.00000 0.00000 1.00000