# generated using pymatgen data_Th2CuIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34725475 _cell_length_b 5.34725524 _cell_length_c 13.31313366 _cell_angle_alpha 78.41470713 _cell_angle_beta 78.41471865 _cell_angle_gamma 60.00000913 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2CuIr6 _chemical_formula_sum 'Th4 Cu2 Ir12' _cell_volume 320.67859133 _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 Th Th0 1 0.95046106 0.95046106 0.14861882 1.0 Th Th1 1 0.04953894 0.04953894 0.85138118 1.0 Th Th2 1 0.85382549 0.85382549 0.43852354 1.0 Th Th3 1 0.14617451 0.14617451 0.56147646 1.0 Cu Cu4 1 0.72111383 0.72111383 0.83665751 1.0 Cu Cu5 1 0.27888617 0.27888617 0.16334249 1.0 Ir Ir6 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir7 1 0.61129761 0.61129761 0.16610716 1.0 Ir Ir8 1 0.38870239 0.38870239 0.83389284 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 0.38709555 0.38709555 0.32921983 1.0 Ir Ir13 1 0.89658907 0.38709555 0.32921983 1.0 Ir Ir14 1 0.38709555 0.89658907 0.32921983 1.0 Ir Ir15 1 0.61290445 0.61290445 0.67078017 1.0 Ir Ir16 1 0.10341093 0.61290445 0.67078017 1.0 Ir Ir17 1 0.61290445 0.10341093 0.67078017 1.0