# generated using pymatgen data_Nd5Si10P2Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.85570989 _cell_length_b 12.82862140 _cell_length_c 3.98518189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.93031931 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Si10P2Ir19 _chemical_formula_sum 'Nd5 Si10 P2 Ir19' _cell_volume 569.58604727 _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 0.33338540 0.66677434 0.50000000 1.0 Nd Nd1 1 0.66661460 0.33338694 0.50000000 1.0 Nd Nd2 1 1.00000000 0.81342717 0.00000000 1.0 Nd Nd3 1 0.18557591 0.18597680 0.00000000 1.0 Nd Nd4 1 0.81442409 0.00040088 0.00000000 1.0 Si Si5 1 0.00000000 0.62998050 0.50000000 1.0 Si Si6 1 0.37004714 0.37026011 0.50000000 1.0 Si Si7 1 0.62995286 0.00021297 0.50000000 1.0 Si Si8 1 0.52073274 0.68741576 0.00000000 1.0 Si Si9 1 0.31269283 0.83302070 0.00000000 1.0 Si Si10 1 0.16728448 0.47903161 0.00000000 1.0 Si Si11 1 0.47926726 0.16668301 0.00000000 1.0 Si Si12 1 0.68730717 0.52032687 0.00000000 1.0 Si Si13 1 0.83271552 0.31174713 0.00000000 1.0 Si Si14 1 1.00000000 0.18183127 0.50000000 1.0 P P15 1 0.81773677 0.81823816 0.50000000 1.0 P P16 1 0.18226323 0.00050138 0.50000000 1.0 Ir Ir17 1 0.51322585 0.87389488 0.00000000 1.0 Ir Ir18 1 0.12601769 0.63932842 0.00000000 1.0 Ir Ir19 1 0.36208050 0.48714297 0.00000000 1.0 Ir Ir20 1 0.48677415 0.36066703 0.00000000 1.0 Ir Ir21 1 0.87398231 0.51331073 0.00000000 1.0 Ir Ir22 1 0.63791950 0.12506147 0.00000000 1.0 Ir Ir23 1 1.00000000 0.44722574 0.50000000 1.0 Ir Ir24 1 0.55390772 0.55300467 0.50000000 1.0 Ir Ir25 1 0.44609228 0.99909795 0.50000000 1.0 Ir Ir26 1 1.00000000 0.28324495 0.00000000 1.0 Ir Ir27 1 0.71892545 0.71903705 0.00000000 1.0 Ir Ir28 1 0.28107455 0.00011160 0.00000000 1.0 Ir Ir29 1 0.62481992 0.80493115 0.50000000 1.0 Ir Ir30 1 0.19514005 0.82017115 0.50000000 1.0 Ir Ir31 1 0.18222593 0.37767016 0.50000000 1.0 Ir Ir32 1 0.37518008 0.18011123 0.50000000 1.0 Ir Ir33 1 0.80485995 0.62503210 0.50000000 1.0 Ir Ir34 1 0.81777407 0.19544423 0.50000000 1.0 Ir Ir35 1 0.00000000 0.99629795 0.50000000 1.0