# generated using pymatgen data_Nd4B4Ir7Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50997021 _cell_length_b 5.50997100 _cell_length_c 21.14990846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99993775 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4B4Ir7Rh3 _chemical_formula_sum 'Nd8 B8 Ir14 Rh6' _cell_volume 556.08087658 _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 0.66666205 0.33333795 0.52205957 1.0 Nd Nd1 1 0.33333795 0.66666205 0.47794043 1.0 Nd Nd2 1 0.33333795 0.66666205 0.02205957 1.0 Nd Nd3 1 0.66666205 0.33333795 0.97794043 1.0 Nd Nd4 1 0.66663859 0.33336141 0.67486240 1.0 Nd Nd5 1 0.33336141 0.66663859 0.32513760 1.0 Nd Nd6 1 0.33336141 0.66663859 0.17486240 1.0 Nd Nd7 1 0.66663859 0.33336141 0.82513760 1.0 B B8 1 0.99997651 0.00002349 0.67747177 1.0 B B9 1 0.00002349 0.99997651 0.32252823 1.0 B B10 1 0.00002349 0.99997651 0.17747177 1.0 B B11 1 0.99997651 0.00002349 0.82252823 1.0 B B12 1 0.66668671 0.33331329 0.32551591 1.0 B B13 1 0.33331329 0.66668671 0.67448409 1.0 B B14 1 0.33331329 0.66668671 0.82551591 1.0 B B15 1 0.66668671 0.33331329 0.17448409 1.0 Ir Ir16 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir17 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir18 1 0.16305348 0.32617375 0.60800624 1.0 Ir Ir19 1 0.16305312 0.83694688 0.60801022 1.0 Ir Ir20 1 0.67382625 0.83694652 0.60800624 1.0 Ir Ir21 1 0.83694652 0.67382625 0.39199376 1.0 Ir Ir22 1 0.83694688 0.16305312 0.39198978 1.0 Ir Ir23 1 0.32617375 0.16305348 0.39199376 1.0 Ir Ir24 1 0.83694652 0.67382625 0.10800624 1.0 Ir Ir25 1 0.83694688 0.16305312 0.10801022 1.0 Ir Ir26 1 0.32617375 0.16305348 0.10800624 1.0 Ir Ir27 1 0.16305348 0.32617375 0.89199376 1.0 Ir Ir28 1 0.16305312 0.83694688 0.89198978 1.0 Ir Ir29 1 0.67382625 0.83694652 0.89199376 1.0 Rh Rh30 1 0.16738057 0.33482906 0.75000000 1.0 Rh Rh31 1 0.16737632 0.83262368 0.75000000 1.0 Rh Rh32 1 0.66517094 0.83261943 0.75000000 1.0 Rh Rh33 1 0.83261943 0.66517094 0.25000000 1.0 Rh Rh34 1 0.83262368 0.16737632 0.25000000 1.0 Rh Rh35 1 0.33482906 0.16738057 0.25000000 1.0