# generated using pymatgen data_CeThIr7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30946606 _cell_length_b 5.30946637 _cell_length_c 13.55511726 _cell_angle_alpha 78.70577712 _cell_angle_beta 78.70577567 _cell_angle_gamma 60.00000176 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeThIr7 _chemical_formula_sum 'Ce2 Th2 Ir14' _cell_volume 322.35644493 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ce Ce0 1 0.85272519 0.85272519 0.44182243 1.0 Ce Ce1 1 0.14727481 0.14727481 0.55817757 1.0 Th Th2 1 0.94998064 0.94998064 0.15005707 1.0 Th Th3 1 0.05001936 0.05001936 0.84994293 1.0 Ir Ir4 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir5 1 0.72245054 0.72245054 0.83264739 1.0 Ir Ir6 1 0.27754946 0.27754946 0.16735261 1.0 Ir Ir7 1 0.61081643 0.61081643 0.16754971 1.0 Ir Ir8 1 0.38918357 0.38918357 0.83245029 1.0 Ir Ir9 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir10 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir11 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir12 1 0.38877341 0.38877341 0.33135366 1.0 Ir Ir13 1 0.89109952 0.38877341 0.33135366 1.0 Ir Ir14 1 0.38877341 0.89109952 0.33135366 1.0 Ir Ir15 1 0.61122659 0.61122659 0.66864634 1.0 Ir Ir16 1 0.10890048 0.61122659 0.66864634 1.0 Ir Ir17 1 0.61122659 0.10890048 0.66864634 1.0