# generated using pymatgen data_Nd5Si9P3Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.84007968 _cell_length_b 12.84007969 _cell_length_c 3.97211889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000251 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Si9P3Ir19 _chemical_formula_sum 'Nd5 Si9 P3 Ir19' _cell_volume 567.13741181 _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 1.00000000 0.81317553 0.50000000 1.0 Nd Nd1 1 0.18682447 0.18682447 0.50000000 1.0 Nd Nd2 1 0.81317553 1.00000000 0.50000000 1.0 Nd Nd3 1 0.33333300 0.66666700 0.00000000 1.0 Nd Nd4 1 0.66666700 0.33333300 0.00000000 1.0 Si Si5 1 0.52047930 0.68735529 0.50000000 1.0 Si Si6 1 0.31264471 0.83312400 0.50000000 1.0 Si Si7 1 0.16687600 0.47952070 0.50000000 1.0 Si Si8 1 0.47952070 0.16687600 0.50000000 1.0 Si Si9 1 0.68735529 0.52047930 0.50000000 1.0 Si Si10 1 0.83312400 0.31264471 0.50000000 1.0 Si Si11 1 1.00000000 0.63019236 0.00000000 1.0 Si Si12 1 0.36980764 0.36980764 0.00000000 1.0 Si Si13 1 0.63019236 1.00000000 0.00000000 1.0 P P14 1 0.00000000 0.18076297 0.00000000 1.0 P P15 1 0.81923703 0.81923703 0.00000000 1.0 P P16 1 0.18076297 0.00000000 0.00000000 1.0 Ir Ir17 1 0.00000000 0.28030997 0.50000000 1.0 Ir Ir18 1 0.71969003 0.71969003 0.50000000 1.0 Ir Ir19 1 0.28030997 0.00000000 0.50000000 1.0 Ir Ir20 1 0.62546826 0.80519168 0.00000000 1.0 Ir Ir21 1 0.19480832 0.82027659 0.00000000 1.0 Ir Ir22 1 0.17972341 0.37453174 0.00000000 1.0 Ir Ir23 1 0.37453174 0.17972341 0.00000000 1.0 Ir Ir24 1 0.80519168 0.62546826 0.00000000 1.0 Ir Ir25 1 0.82027659 0.19480832 0.00000000 1.0 Ir Ir26 1 0.51320470 0.87416379 0.50000000 1.0 Ir Ir27 1 0.12583621 0.63904091 0.50000000 1.0 Ir Ir28 1 0.36095909 0.48679530 0.50000000 1.0 Ir Ir29 1 0.48679530 0.36095909 0.50000000 1.0 Ir Ir30 1 0.87416379 0.51320470 0.50000000 1.0 Ir Ir31 1 0.63904091 0.12583621 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir33 1 0.00000000 0.44655655 0.00000000 1.0 Ir Ir34 1 0.55344345 0.55344345 0.00000000 1.0 Ir Ir35 1 0.44655655 0.00000000 0.00000000 1.0