# generated using pymatgen data_Nd5Si11AsIr19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.88181969 _cell_length_b 12.90155475 _cell_length_c 4.00401152 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.05069358 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Si11AsIr19 _chemical_formula_sum 'Nd5 Si11 As1 Ir19' _cell_volume 576.00087335 _cell_formula_units_Z 1 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 Nd Nd0 1 0.00000000 0.81430333 0.50000000 1.0 Nd Nd1 1 0.18926770 0.18649200 0.50000000 1.0 Nd Nd2 1 0.81073230 0.99722430 0.50000000 1.0 Nd Nd3 1 0.33459062 0.66770667 0.00000000 1.0 Nd Nd4 1 0.66540938 0.33311405 0.00000000 1.0 Si Si5 1 0.81570996 0.81422508 0.00000000 1.0 Si Si6 1 0.18429004 0.99851511 0.00000000 1.0 Si Si7 1 0.52134676 0.68968859 0.50000000 1.0 Si Si8 1 0.31114959 0.83207440 0.50000000 1.0 Si Si9 1 0.16934511 0.48149224 0.50000000 1.0 Si Si10 1 0.47865324 0.16834183 0.50000000 1.0 Si Si11 1 0.68885041 0.52092480 0.50000000 1.0 Si Si12 1 0.83065489 0.31214713 0.50000000 1.0 Si Si13 1 1.00000000 0.62883033 0.00000000 1.0 Si Si14 1 0.37151321 0.37177029 0.00000000 1.0 Si Si15 1 0.62848679 0.00025808 0.00000000 1.0 As As16 1 0.00000000 0.17923434 0.00000000 1.0 Ir Ir17 1 0.00000000 0.28717455 0.50000000 1.0 Ir Ir18 1 0.71539434 0.71517517 0.50000000 1.0 Ir Ir19 1 0.28460566 0.99978083 0.50000000 1.0 Ir Ir20 1 0.62234648 0.80502791 0.00000000 1.0 Ir Ir21 1 0.19621317 0.81659586 0.00000000 1.0 Ir Ir22 1 0.18406116 0.38092096 0.00000000 1.0 Ir Ir23 1 0.37765352 0.18268143 0.00000000 1.0 Ir Ir24 1 0.80378683 0.62038269 0.00000000 1.0 Ir Ir25 1 0.81593884 0.19685980 0.00000000 1.0 Ir Ir26 1 0.51251479 0.87519290 0.50000000 1.0 Ir Ir27 1 0.12504183 0.63778114 0.50000000 1.0 Ir Ir28 1 0.36313533 0.48900130 0.50000000 1.0 Ir Ir29 1 0.48748521 0.36267711 0.50000000 1.0 Ir Ir30 1 0.87495817 0.51273831 0.50000000 1.0 Ir Ir31 1 0.63686467 0.12586497 0.50000000 1.0 Ir Ir32 1 1.00000000 0.99436595 0.00000000 1.0 Ir Ir33 1 0.00000000 0.44669355 0.00000000 1.0 Ir Ir34 1 0.55301045 0.55387672 0.00000000 1.0 Ir Ir35 1 0.44698955 0.00086627 0.00000000 1.0