# generated using pymatgen data_AcThNi2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37591506 _cell_length_b 5.37591419 _cell_length_c 12.96704946 _cell_angle_alpha 78.03633263 _cell_angle_beta 78.03633608 _cell_angle_gamma 60.00000958 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcThNi2Ir5 _chemical_formula_sum 'Ac2 Th2 Ni4 Ir10' _cell_volume 315.11200249 _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 Ac Ac0 1 0.94945009 0.94945009 0.15164973 1.0 Ac Ac1 1 0.05054991 0.05054991 0.84835027 1.0 Th Th2 1 0.85331691 0.85331691 0.44005128 1.0 Th Th3 1 0.14668309 0.14668309 0.55994872 1.0 Ni Ni4 1 0.72091421 0.72091421 0.83725836 1.0 Ni Ni5 1 0.27908579 0.27908579 0.16274164 1.0 Ni Ni6 1 0.61238682 0.61238682 0.16284055 1.0 Ni Ni7 1 0.38761318 0.38761318 0.83715945 1.0 Ir Ir8 1 0.39040809 0.39040809 0.32451875 1.0 Ir Ir9 1 0.89466608 0.39040809 0.32451875 1.0 Ir Ir10 1 0.39040809 0.89466608 0.32451875 1.0 Ir Ir11 1 0.60959191 0.60959191 0.67548125 1.0 Ir Ir12 1 0.10533392 0.60959191 0.67548125 1.0 Ir Ir13 1 0.60959191 0.10533392 0.67548125 1.0 Ir Ir14 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir15 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir16 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir17 1 0.50000000 0.50000000 0.50000000 1.0