# generated using pymatgen data_NdY4Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.78329729 _cell_length_b 12.78329898 _cell_length_c 3.97732107 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000325 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdY4Si12Ir19 _chemical_formula_sum 'Nd1 Y4 Si12 Ir19' _cell_volume 562.86870701 _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 0.66666700 0.33333300 0.00000000 1.0 Y Y1 1 0.99940212 0.81478712 0.50000000 1.0 Y Y2 1 0.18521288 0.18461500 0.50000000 1.0 Y Y3 1 0.81538500 0.00059788 0.50000000 1.0 Y Y4 1 0.33333300 0.66666700 0.00000000 1.0 Si Si5 1 0.00132074 0.18199412 0.00000000 1.0 Si Si6 1 0.81800588 0.81932663 0.00000000 1.0 Si Si7 1 0.18067337 0.99867926 0.00000000 1.0 Si Si8 1 0.51957262 0.68884579 0.50000000 1.0 Si Si9 1 0.31115421 0.83072683 0.50000000 1.0 Si Si10 1 0.16927317 0.48042738 0.50000000 1.0 Si Si11 1 0.47786061 0.16555881 0.50000000 1.0 Si Si12 1 0.68769721 0.52213939 0.50000000 1.0 Si Si13 1 0.83444119 0.31230279 0.50000000 1.0 Si Si14 1 0.99980177 0.63106078 0.00000000 1.0 Si Si15 1 0.36893922 0.36873999 0.00000000 1.0 Si Si16 1 0.63126001 0.00019823 0.00000000 1.0 Ir Ir17 1 0.00152918 0.28299133 0.50000000 1.0 Ir Ir18 1 0.71700867 0.71853785 0.50000000 1.0 Ir Ir19 1 0.28146215 0.99847082 0.50000000 1.0 Ir Ir20 1 0.62221151 0.80590177 0.00000000 1.0 Ir Ir21 1 0.19409823 0.81631074 0.00000000 1.0 Ir Ir22 1 0.18368926 0.37778849 0.00000000 1.0 Ir Ir23 1 0.37510380 0.18151689 0.00000000 1.0 Ir Ir24 1 0.80641310 0.62489620 0.00000000 1.0 Ir Ir25 1 0.81848311 0.19358690 0.00000000 1.0 Ir Ir26 1 0.51116195 0.87345321 0.50000000 1.0 Ir Ir27 1 0.12654679 0.63770974 0.50000000 1.0 Ir Ir28 1 0.36229026 0.48883805 0.50000000 1.0 Ir Ir29 1 0.48602939 0.36086532 0.50000000 1.0 Ir Ir30 1 0.87483593 0.51397061 0.50000000 1.0 Ir Ir31 1 0.63913468 0.12516407 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir33 1 0.99950754 0.44665405 0.00000000 1.0 Ir Ir34 1 0.55334595 0.55285350 0.00000000 1.0 Ir Ir35 1 0.44714650 0.00049246 0.00000000 1.0