# generated using pymatgen data_Nd8Si13Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20367237 _cell_length_b 8.20367248 _cell_length_c 8.53233550 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999158 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd8Si13Ir3 _chemical_formula_sum 'Nd8 Si13 Ir3' _cell_volume 497.29628343 _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 0.49964336 0.50035664 0.75130117 1.0 Nd Nd1 1 0.49972809 0.50027191 0.24873561 1.0 Nd Nd2 1 0.00071328 0.50035664 0.75130117 1.0 Nd Nd3 1 0.00054282 0.50027191 0.24873561 1.0 Nd Nd4 1 0.49964336 0.99928672 0.75130117 1.0 Nd Nd5 1 0.49972809 0.99945718 0.24873561 1.0 Nd Nd6 1 0.00000000 0.00000000 0.74848661 1.0 Nd Nd7 1 0.00000000 0.00000000 0.25140517 1.0 Si Si8 1 0.83222481 0.16777519 0.99996002 1.0 Si Si9 1 0.16793975 0.83206025 0.00004170 1.0 Si Si10 1 0.33555037 0.16777519 0.99996002 1.0 Si Si11 1 0.16850629 0.83149371 0.50009606 1.0 Si Si12 1 0.66412149 0.83206025 0.00004170 1.0 Si Si13 1 0.83658364 0.16341636 0.49986132 1.0 Si Si14 1 0.83222481 0.66444963 0.99996002 1.0 Si Si15 1 0.66298841 0.83149371 0.50009606 1.0 Si Si16 1 0.16793975 0.33587851 0.00004170 1.0 Si Si17 1 0.32683271 0.16341636 0.49986132 1.0 Si Si18 1 0.16850629 0.33701159 0.50009606 1.0 Si Si19 1 0.83658364 0.67316729 0.49986132 1.0 Si Si20 1 0.66666700 0.33333300 0.50019918 1.0 Ir Ir21 1 0.66666700 0.33333300 0.99993597 1.0 Ir Ir22 1 0.33333300 0.66666700 0.00005268 1.0 Ir Ir23 1 0.33333300 0.66666700 0.49993576 1.0