# CIF generated by HEAS from Alexandria entry agm072004653 data_agm072004653 _cell_length_a 7.34922 _cell_length_b 7.34922 _cell_length_c 3.90849 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 182.81948 _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 0.00000 0.00000 0.00000 1.00000 Th1 Th 0.50000 0.00000 0.50000 1.00000 Th2 Th 0.50000 0.50000 0.50000 1.00000 Th3 Th 0.00000 0.50000 0.50000 1.00000 Ir1 Ir 0.66667 0.33333 0.00000 1.00000 Ir2 Ir 0.33333 0.66667 0.00000 1.00000