# generated using pymatgen data_NdHo7(P7Ir8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92891788 _cell_length_b 12.56658577 _cell_length_c 13.07766526 _cell_angle_alpha 80.91182701 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdHo7(P7Ir8)2 _chemical_formula_sum 'Nd1 Ho7 P14 Ir16' _cell_volume 637.57901353 _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 Nd Nd0 1 0.25000000 0.27884905 0.10142801 1.0 Ho Ho1 1 0.75000000 0.79085615 0.56239085 1.0 Ho Ho2 1 0.25000000 0.20964672 0.43796769 1.0 Ho Ho3 1 0.75000000 0.47981450 0.70702469 1.0 Ho Ho4 1 0.25000000 0.52079309 0.29358750 1.0 Ho Ho5 1 0.75000000 0.71932532 0.89864652 1.0 Ho Ho6 1 0.25000000 0.10343078 0.79052009 1.0 Ho Ho7 1 0.75000000 0.89694623 0.21046763 1.0 P P8 1 0.25000000 0.90765269 0.41207609 1.0 P P9 1 0.75000000 0.47107757 0.12926470 1.0 P P10 1 0.25000000 0.53064356 0.87053481 1.0 P P11 1 0.75000000 0.09249835 0.58837388 1.0 P P12 1 0.25000000 0.74126760 0.07993926 1.0 P P13 1 0.75000000 0.25563348 0.91654058 1.0 P P14 1 0.75000000 0.15714973 0.28338660 1.0 P P15 1 0.25000000 0.84380109 0.71761478 1.0 P P16 1 0.25000000 0.04801601 0.10098971 1.0 P P17 1 0.75000000 0.94639030 0.89874853 1.0 P P18 1 0.25000000 0.31241242 0.68903330 1.0 P P19 1 0.75000000 0.68809778 0.31098969 1.0 P P20 1 0.25000000 0.60940878 0.56572867 1.0 P P21 1 0.75000000 0.39173271 0.43579511 1.0 Ir Ir22 1 0.25000000 0.99046879 0.57597706 1.0 Ir Ir23 1 0.75000000 0.00960497 0.42426750 1.0 Ir Ir24 1 0.25000000 0.66271452 0.72848628 1.0 Ir Ir25 1 0.75000000 0.33974116 0.27420130 1.0 Ir Ir26 1 0.25000000 0.55233959 0.04881344 1.0 Ir Ir27 1 0.75000000 0.45270609 0.94825982 1.0 Ir Ir28 1 0.25000000 0.05910747 0.27354679 1.0 Ir Ir29 1 0.75000000 0.93986086 0.72660922 1.0 Ir Ir30 1 0.25000000 0.42244073 0.52448719 1.0 Ir Ir31 1 0.75000000 0.57875669 0.47653064 1.0 Ir Ir32 1 0.25000000 0.91356189 0.99654966 1.0 Ir Ir33 1 0.75000000 0.08220940 0.00123574 1.0 Ir Ir34 1 0.25000000 0.72973211 0.39563234 1.0 Ir Ir35 1 0.75000000 0.27047422 0.60477958 1.0 Ir Ir36 1 0.25000000 0.34122803 0.85771362 1.0 Ir Ir37 1 0.75000000 0.65960957 0.14186213 1.0