# CIF generated by HEAS from Alexandria entry agm005107701 data_agm005107701 _cell_length_a 3.98551 _cell_length_b 3.98551 _cell_length_c 9.36744 _cell_angle_alpha 77.70198 _cell_angle_beta 77.70198 _cell_angle_gamma 60.02187 _cell_volume 124.92861 _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 Y1 Y 0.50004 0.50004 0.50050 1.00000 Th1 Th 0.06215 0.06215 0.81374 1.00000 Th2 Th 0.27142 0.27142 0.18495 1.00000 Ir1 Ir 0.66639 0.66639 0.00080 1.00000