# generated using pymatgen data_Nd4TmIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04169137 _cell_length_b 11.04169137 _cell_length_c 6.55118988 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4TmIr2Ru _chemical_formula_sum 'Nd16 Tm4 Ir8 Ru4' _cell_volume 798.71418040 _cell_formula_units_Z 4 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 0.29093467 0.08632627 0.38077680 1.0 Nd Nd1 1 0.29093467 0.91367373 0.88077680 1.0 Nd Nd2 1 0.70906533 0.08632627 0.88077680 1.0 Nd Nd3 1 0.70906533 0.91367373 0.38077680 1.0 Nd Nd4 1 0.58632627 0.79093467 0.88077680 1.0 Nd Nd5 1 0.58632627 0.20906533 0.38077680 1.0 Nd Nd6 1 0.41367373 0.79093467 0.38077680 1.0 Nd Nd7 1 0.41367373 0.20906533 0.88077680 1.0 Nd Nd8 1 0.20906533 0.41367373 0.61922320 1.0 Nd Nd9 1 0.20906533 0.58632627 0.11922320 1.0 Nd Nd10 1 0.79093467 0.41367373 0.11922320 1.0 Nd Nd11 1 0.79093467 0.58632627 0.61922320 1.0 Nd Nd12 1 0.91367373 0.70906533 0.11922320 1.0 Nd Nd13 1 0.91367373 0.29093467 0.61922320 1.0 Nd Nd14 1 0.08632627 0.70906533 0.61922320 1.0 Nd Nd15 1 0.08632627 0.29093467 0.11922320 1.0 Tm Tm16 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm17 1 0.00000000 0.00000000 0.00000000 1.0 Tm Tm18 1 0.50000000 0.50000000 0.00000000 1.0 Tm Tm19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85369052 0.14630948 0.25000000 1.0 Ir Ir21 1 0.85369052 0.85369052 0.75000000 1.0 Ir Ir22 1 0.14630948 0.14630948 0.75000000 1.0 Ir Ir23 1 0.14630948 0.85369052 0.25000000 1.0 Ir Ir24 1 0.64630948 0.35369052 0.75000000 1.0 Ir Ir25 1 0.64630948 0.64630948 0.25000000 1.0 Ir Ir26 1 0.35369052 0.35369052 0.25000000 1.0 Ir Ir27 1 0.35369052 0.64630948 0.75000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.11876406 1.0 Ru Ru29 1 0.50000000 0.00000000 0.61876406 1.0 Ru Ru30 1 0.00000000 0.50000000 0.88123594 1.0 Ru Ru31 1 0.00000000 0.50000000 0.38123594 1.0