# generated using pymatgen data_Nd2Tm2P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92930008 _cell_length_b 12.66765271 _cell_length_c 13.09630855 _cell_angle_alpha 81.03634060 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Tm2P7Ir8 _chemical_formula_sum 'Nd4 Tm4 P14 Ir16' _cell_volume 643.90783504 _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 0.75000000 0.71954669 0.89933679 1.0 Nd Nd1 1 0.25000000 0.10697316 0.78780712 1.0 Nd Nd2 1 0.75000000 0.89302684 0.21219288 1.0 Nd Nd3 1 0.25000000 0.28045331 0.10066321 1.0 Tm Tm4 1 0.75000000 0.79093273 0.56045929 1.0 Tm Tm5 1 0.25000000 0.20906727 0.43954071 1.0 Tm Tm6 1 0.75000000 0.48078757 0.70631796 1.0 Tm Tm7 1 0.25000000 0.51921243 0.29368204 1.0 P P8 1 0.25000000 0.90769021 0.41162035 1.0 P P9 1 0.75000000 0.47000219 0.13011066 1.0 P P10 1 0.25000000 0.52999781 0.86988934 1.0 P P11 1 0.75000000 0.09230979 0.58837965 1.0 P P12 1 0.25000000 0.74229508 0.08386972 1.0 P P13 1 0.75000000 0.25770492 0.91613028 1.0 P P14 1 0.75000000 0.15819356 0.28466981 1.0 P P15 1 0.25000000 0.84180644 0.71533019 1.0 P P16 1 0.25000000 0.05234041 0.10055237 1.0 P P17 1 0.75000000 0.94765959 0.89944763 1.0 P P18 1 0.25000000 0.31812734 0.68642024 1.0 P P19 1 0.75000000 0.68187266 0.31357976 1.0 P P20 1 0.25000000 0.60946733 0.56485194 1.0 P P21 1 0.75000000 0.39053267 0.43514806 1.0 Ir Ir22 1 0.25000000 0.99045825 0.57549474 1.0 Ir Ir23 1 0.75000000 0.00954175 0.42450526 1.0 Ir Ir24 1 0.25000000 0.66049739 0.72537423 1.0 Ir Ir25 1 0.75000000 0.33950261 0.27462577 1.0 Ir Ir26 1 0.25000000 0.54735573 0.05251558 1.0 Ir Ir27 1 0.75000000 0.45264427 0.94748442 1.0 Ir Ir28 1 0.25000000 0.06407291 0.27423379 1.0 Ir Ir29 1 0.75000000 0.93592709 0.72576621 1.0 Ir Ir30 1 0.25000000 0.42264946 0.52192522 1.0 Ir Ir31 1 0.75000000 0.57735054 0.47807478 1.0 Ir Ir32 1 0.25000000 0.91516675 0.99830601 1.0 Ir Ir33 1 0.75000000 0.08483325 0.00169399 1.0 Ir Ir34 1 0.25000000 0.72868294 0.39801309 1.0 Ir Ir35 1 0.75000000 0.27131706 0.60198691 1.0 Ir Ir36 1 0.25000000 0.34416131 0.85590480 1.0 Ir Ir37 1 0.75000000 0.65583869 0.14409520 1.0