# generated using pymatgen data_Li3Ho4P12Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96470913 _cell_length_b 10.81186101 _cell_length_c 12.47018715 _cell_angle_alpha 89.59363727 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ho4P12Ir17 _chemical_formula_sum 'Li3 Ho4 P12 Ir17' _cell_volume 534.53215232 _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 Li Li0 1 0.25000000 0.70290775 0.98867646 1.0 Li Li1 1 0.25000000 0.79582055 0.49339638 1.0 Li Li2 1 0.75000000 0.28762605 0.00933877 1.0 Ho Ho3 1 0.25000000 0.57962112 0.70479871 1.0 Ho Ho4 1 0.25000000 0.91866117 0.20451960 1.0 Ho Ho5 1 0.75000000 0.43066392 0.29962295 1.0 Ho Ho6 1 0.75000000 0.07377589 0.80144986 1.0 P P7 1 0.25000000 0.42830971 0.11749449 1.0 P P8 1 0.25000000 0.06623800 0.61910281 1.0 P P9 1 0.75000000 0.56436520 0.88118740 1.0 P P10 1 0.75000000 0.92498222 0.38328575 1.0 P P11 1 0.25000000 0.25448571 0.86039862 1.0 P P12 1 0.25000000 0.24741506 0.36981773 1.0 P P13 1 0.75000000 0.73665762 0.13606177 1.0 P P14 1 0.75000000 0.76272337 0.63886633 1.0 P P15 1 0.25000000 0.61075094 0.38860220 1.0 P P16 1 0.25000000 0.89655899 0.89789194 1.0 P P17 1 0.75000000 0.40623947 0.60895685 1.0 P P18 1 0.75000000 0.09277781 0.10361021 1.0 Ir Ir19 1 0.75000000 0.23731647 0.49503587 1.0 Ir Ir20 1 0.25000000 0.41894923 0.47865200 1.0 Ir Ir21 1 0.25000000 0.09484861 0.98769750 1.0 Ir Ir22 1 0.75000000 0.59700830 0.52595482 1.0 Ir Ir23 1 0.75000000 0.90140566 0.01629432 1.0 Ir Ir24 1 0.25000000 0.23948110 0.18706346 1.0 Ir Ir25 1 0.25000000 0.26148357 0.66899151 1.0 Ir Ir26 1 0.75000000 0.75756286 0.82267902 1.0 Ir Ir27 1 0.75000000 0.73004139 0.32447987 1.0 Ir Ir28 1 0.25000000 0.88376859 0.71068884 1.0 Ir Ir29 1 0.25000000 0.62064083 0.19921177 1.0 Ir Ir30 1 0.75000000 0.10529611 0.28687722 1.0 Ir Ir31 1 0.75000000 0.37376720 0.79153858 1.0 Ir Ir32 1 0.25000000 0.45194094 0.93044090 1.0 Ir Ir33 1 0.25000000 0.04821146 0.43354071 1.0 Ir Ir34 1 0.75000000 0.53531591 0.06556947 1.0 Ir Ir35 1 0.75000000 0.96238021 0.56820630 1.0