# generated using pymatgen data_Nd16Tm4Ir11Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.12072929 _cell_length_b 11.12072929 _cell_length_c 6.48621786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd16Tm4Ir11Ru _chemical_formula_sum 'Nd16 Tm4 Ir11 Ru1' _cell_volume 802.15458288 _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 0.28986583 0.08648761 0.38443980 1.0 Nd Nd1 1 0.29050718 0.91332309 0.88743764 1.0 Nd Nd2 1 0.70949282 0.08667691 0.88743764 1.0 Nd Nd3 1 0.71013417 0.91351239 0.38443980 1.0 Nd Nd4 1 0.58667691 0.79050718 0.88743764 1.0 Nd Nd5 1 0.58648761 0.21013417 0.38443980 1.0 Nd Nd6 1 0.41351239 0.78986583 0.38443980 1.0 Nd Nd7 1 0.41332309 0.20949282 0.88743764 1.0 Nd Nd8 1 0.21176094 0.41182038 0.61612479 1.0 Nd Nd9 1 0.21167690 0.58704704 0.11567056 1.0 Nd Nd10 1 0.78832310 0.41295296 0.11567056 1.0 Nd Nd11 1 0.78823906 0.58817962 0.61612479 1.0 Nd Nd12 1 0.91295296 0.71167690 0.11567056 1.0 Nd Nd13 1 0.91182038 0.28823906 0.61612479 1.0 Nd Nd14 1 0.08817962 0.71176094 0.61612479 1.0 Nd Nd15 1 0.08704704 0.28832310 0.11567056 1.0 Tm Tm16 1 0.00000000 0.00000000 0.49730130 1.0 Tm Tm17 1 0.00000000 0.00000000 0.99715511 1.0 Tm Tm18 1 0.50000000 0.50000000 0.99715511 1.0 Tm Tm19 1 0.50000000 0.50000000 0.49730130 1.0 Ir Ir20 1 0.85310302 0.14790109 0.24902707 1.0 Ir Ir21 1 0.85322998 0.85257556 0.74874289 1.0 Ir Ir22 1 0.14677002 0.14742444 0.74874289 1.0 Ir Ir23 1 0.14689698 0.85209891 0.24902707 1.0 Ir Ir24 1 0.64742444 0.35322998 0.74874289 1.0 Ir Ir25 1 0.64790109 0.64689698 0.24902707 1.0 Ir Ir26 1 0.35209891 0.35310302 0.24902707 1.0 Ir Ir27 1 0.35257556 0.64677002 0.74874289 1.0 Ir Ir28 1 0.50000000 0.00000000 0.62429803 1.0 Ir Ir29 1 0.00000000 0.50000000 0.87767898 1.0 Ir Ir30 1 0.00000000 0.50000000 0.37872973 1.0 Ru Ru31 1 0.50000000 0.00000000 0.12461344 1.0