# generated using pymatgen data_Tb7Nd(P7Ir8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93651780 _cell_length_b 12.62244642 _cell_length_c 13.09529886 _cell_angle_alpha 80.89179949 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb7Nd(P7Ir8)2 _chemical_formula_sum 'Tb7 Nd1 P14 Ir16' _cell_volume 642.48117039 _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 Tb Tb0 1 0.75000000 0.79060553 0.56206401 1.0 Tb Tb1 1 0.25000000 0.20965128 0.43844781 1.0 Tb Tb2 1 0.75000000 0.48016480 0.70690446 1.0 Tb Tb3 1 0.25000000 0.52033245 0.29352772 1.0 Tb Tb4 1 0.75000000 0.71960278 0.89845171 1.0 Tb Tb5 1 0.25000000 0.10401769 0.79025750 1.0 Tb Tb6 1 0.75000000 0.89638240 0.21036678 1.0 Nd Nd7 1 0.25000000 0.27917762 0.10148119 1.0 P P8 1 0.25000000 0.90831524 0.41099134 1.0 P P9 1 0.75000000 0.47120932 0.12894066 1.0 P P10 1 0.25000000 0.53029328 0.87081769 1.0 P P11 1 0.75000000 0.09175551 0.58942803 1.0 P P12 1 0.25000000 0.74139974 0.08052438 1.0 P P13 1 0.75000000 0.25595239 0.91648583 1.0 P P14 1 0.75000000 0.15695781 0.28296290 1.0 P P15 1 0.25000000 0.84366214 0.71796603 1.0 P P16 1 0.25000000 0.04921706 0.10037493 1.0 P P17 1 0.75000000 0.94642653 0.89937132 1.0 P P18 1 0.25000000 0.31285141 0.68904659 1.0 P P19 1 0.75000000 0.68768309 0.31103163 1.0 P P20 1 0.25000000 0.60916701 0.56487628 1.0 P P21 1 0.75000000 0.39168591 0.43621938 1.0 Ir Ir22 1 0.25000000 0.99008735 0.57633156 1.0 Ir Ir23 1 0.75000000 0.00991356 0.42403802 1.0 Ir Ir24 1 0.25000000 0.66279239 0.72855015 1.0 Ir Ir25 1 0.75000000 0.33913224 0.27348394 1.0 Ir Ir26 1 0.25000000 0.55161467 0.04918257 1.0 Ir Ir27 1 0.75000000 0.45267921 0.94852128 1.0 Ir Ir28 1 0.25000000 0.06010864 0.27308879 1.0 Ir Ir29 1 0.75000000 0.93896898 0.72710345 1.0 Ir Ir30 1 0.25000000 0.42261162 0.52528825 1.0 Ir Ir31 1 0.75000000 0.57826805 0.47542326 1.0 Ir Ir32 1 0.25000000 0.91379749 0.99724251 1.0 Ir Ir33 1 0.75000000 0.08270223 0.00104503 1.0 Ir Ir34 1 0.25000000 0.73010585 0.39523444 1.0 Ir Ir35 1 0.75000000 0.26999829 0.60515271 1.0 Ir Ir36 1 0.25000000 0.34147045 0.85822864 1.0 Ir Ir37 1 0.75000000 0.65923796 0.14154723 1.0