# generated using pymatgen data_Nd10Ir5Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.19349326 _cell_length_b 11.19349326 _cell_length_c 6.58683950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd10Ir5Ru _chemical_formula_sum 'Nd20 Ir10 Ru2' _cell_volume 825.29338755 _cell_formula_units_Z 2 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 0.08880347 0.29289790 0.11332811 1.0 Nd Nd1 1 0.79289790 0.41119653 0.11332811 1.0 Nd Nd2 1 0.20710210 0.58880347 0.11332811 1.0 Nd Nd3 1 0.91119653 0.70710210 0.11332811 1.0 Nd Nd4 1 0.41119653 0.79289790 0.38667189 1.0 Nd Nd5 1 0.58880347 0.20710210 0.38667189 1.0 Nd Nd6 1 0.29289790 0.08880347 0.38667189 1.0 Nd Nd7 1 0.70710210 0.91119653 0.38667189 1.0 Nd Nd8 1 0.40950916 0.20663207 0.88944576 1.0 Nd Nd9 1 0.70663207 0.09049084 0.88944576 1.0 Nd Nd10 1 0.29336793 0.90950916 0.88944576 1.0 Nd Nd11 1 0.59049084 0.79336793 0.88944576 1.0 Nd Nd12 1 0.09049084 0.70663207 0.61055424 1.0 Nd Nd13 1 0.90950916 0.29336793 0.61055424 1.0 Nd Nd14 1 0.20663207 0.40950916 0.61055424 1.0 Nd Nd15 1 0.79336793 0.59049084 0.61055424 1.0 Nd Nd16 1 0.00000000 0.00000000 0.99966434 1.0 Nd Nd17 1 0.50000000 0.50000000 0.99966434 1.0 Nd Nd18 1 0.50000000 0.50000000 0.50033566 1.0 Nd Nd19 1 0.00000000 0.00000000 0.50033566 1.0 Ir Ir20 1 0.15344464 0.84655536 0.25000000 1.0 Ir Ir21 1 0.34655536 0.34655536 0.25000000 1.0 Ir Ir22 1 0.65344464 0.65344464 0.25000000 1.0 Ir Ir23 1 0.84655536 0.15344464 0.25000000 1.0 Ir Ir24 1 0.34712541 0.65287459 0.75000000 1.0 Ir Ir25 1 0.15287459 0.15287459 0.75000000 1.0 Ir Ir26 1 0.84712541 0.84712541 0.75000000 1.0 Ir Ir27 1 0.65287459 0.34712541 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.62694122 1.0 Ir Ir29 1 0.00000000 0.50000000 0.87305878 1.0 Ru Ru30 1 0.00000000 0.50000000 0.37364096 1.0 Ru Ru31 1 0.50000000 0.00000000 0.12635904 1.0