# CIF generated by HEAS from Alexandria entry agm006652011 data_agm006652011 _cell_length_a 7.05859 _cell_length_b 7.05859 _cell_length_c 3.94567 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 170.25044 _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 0.63617 0.00000 0.00000 1.00000 Th2 Th 0.00000 0.63617 0.00000 1.00000 Th3 Th 0.36383 0.36383 0.00000 1.00000 H1 H 0.00000 0.00000 0.00000 1.00000 Ir1 Ir 0.66667 0.33333 0.50000 1.00000 Ir2 Ir 0.33333 0.66667 0.50000 1.00000 Ir3 Ir 0.77418 0.77418 0.50000 1.00000 Ir4 Ir 0.00000 0.22582 0.50000 1.00000 Ir5 Ir 0.22582 0.00000 0.50000 1.00000