# generated using pymatgen data_Nd5Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.85214220 _cell_length_b 12.85214317 _cell_length_c 4.01142015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000255 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Si12Ir19 _chemical_formula_sum 'Nd5 Si12 Ir19' _cell_volume 573.82550745 _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 0.81475484 0.50000000 1.0 Nd Nd1 1 0.18524516 0.18524516 0.50000000 1.0 Nd Nd2 1 0.81475484 0.00000000 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 0.00000000 0.18397480 0.00000000 1.0 Si Si6 1 0.81602520 0.81602520 0.00000000 1.0 Si Si7 1 0.18397480 0.00000000 0.00000000 1.0 Si Si8 1 0.52105929 0.68883821 0.50000000 1.0 Si Si9 1 0.31116179 0.83222107 0.50000000 1.0 Si Si10 1 0.16777893 0.47894071 0.50000000 1.0 Si Si11 1 0.47894071 0.16777893 0.50000000 1.0 Si Si12 1 0.68883821 0.52105929 0.50000000 1.0 Si Si13 1 0.83222107 0.31116179 0.50000000 1.0 Si Si14 1 1.00000000 0.62923663 0.00000000 1.0 Si Si15 1 0.37076337 0.37076337 0.00000000 1.0 Si Si16 1 0.62923663 1.00000000 0.00000000 1.0 Ir Ir17 1 0.00000000 0.28446297 0.50000000 1.0 Ir Ir18 1 0.71553703 0.71553703 0.50000000 1.0 Ir Ir19 1 0.28446297 0.00000000 0.50000000 1.0 Ir Ir20 1 0.62152453 0.80435480 0.00000000 1.0 Ir Ir21 1 0.19564520 0.81716973 0.00000000 1.0 Ir Ir22 1 0.18283027 0.37847547 0.00000000 1.0 Ir Ir23 1 0.37847547 0.18283027 0.00000000 1.0 Ir Ir24 1 0.80435480 0.62152453 0.00000000 1.0 Ir Ir25 1 0.81716973 0.19564520 0.00000000 1.0 Ir Ir26 1 0.51241876 0.87463995 0.50000000 1.0 Ir Ir27 1 0.12536005 0.63777980 0.50000000 1.0 Ir Ir28 1 0.36222020 0.48758124 0.50000000 1.0 Ir Ir29 1 0.48758124 0.36222020 0.50000000 1.0 Ir Ir30 1 0.87463995 0.51241876 0.50000000 1.0 Ir Ir31 1 0.63777980 0.12536005 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir33 1 0.00000000 0.44681396 0.00000000 1.0 Ir Ir34 1 0.55318604 0.55318604 0.00000000 1.0 Ir Ir35 1 0.44681396 0.00000000 0.00000000 1.0