# generated using pymatgen data_Hf3Zr12Nb5Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01656793 _cell_length_b 7.01627714 _cell_length_c 12.87238605 _cell_angle_alpha 90.13674494 _cell_angle_beta 89.88103064 _cell_angle_gamma 90.01169309 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr12Nb5Si16 _chemical_formula_sum 'Hf3 Zr12 Nb5 Si16' _cell_volume 633.70676558 _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 Hf Hf0 1 0.35279978 0.50582032 0.37802293 1.0 Hf Hf1 1 0.85503079 0.99757380 0.37289082 1.0 Hf Hf2 1 0.00478318 0.14575300 0.12755180 1.0 Zr Zr3 1 0.64703993 0.49639286 0.87609410 1.0 Zr Zr4 1 0.50270234 0.35450210 0.62238934 1.0 Zr Zr5 1 0.49725916 0.64561851 0.12362891 1.0 Zr Zr6 1 0.14593800 0.00241674 0.87335187 1.0 Zr Zr7 1 0.00143087 0.65288112 0.03385270 1.0 Zr Zr8 1 0.99956785 0.34699448 0.53250257 1.0 Zr Zr9 1 0.65443180 0.00001553 0.96589485 1.0 Zr Zr10 1 0.15231750 0.49917020 0.78179602 1.0 Zr Zr11 1 0.84727180 0.50144699 0.28391654 1.0 Zr Zr12 1 0.50062264 0.15346724 0.21792231 1.0 Zr Zr13 1 0.50084303 0.84638844 0.71560107 1.0 Zr Zr14 1 0.34491280 0.99971469 0.46849370 1.0 Nb Nb15 1 0.99285017 0.85433442 0.62560717 1.0 Nb Nb16 1 0.67484582 0.67673301 0.50018710 1.0 Nb Nb17 1 0.82717374 0.17295373 0.74860809 1.0 Nb Nb18 1 0.17474661 0.82655619 0.25131220 1.0 Nb Nb19 1 0.32537088 0.32410085 0.00052694 1.0 Si Si20 1 0.04838248 0.70248648 0.43772905 1.0 Si Si21 1 0.95183625 0.29974950 0.93698228 1.0 Si Si22 1 0.70271999 0.04825887 0.56307694 1.0 Si Si23 1 0.20010243 0.45050894 0.18757182 1.0 Si Si24 1 0.80080483 0.55230919 0.68499336 1.0 Si Si25 1 0.45034290 0.19883053 0.81297134 1.0 Si Si26 1 0.54982506 0.80076311 0.31484338 1.0 Si Si27 1 0.30107501 0.95148538 0.06430815 1.0 Si Si28 1 0.85568152 0.79503495 0.81849243 1.0 Si Si29 1 0.14520345 0.20652909 0.32255870 1.0 Si Si30 1 0.79629924 0.85563159 0.17905771 1.0 Si Si31 1 0.28814454 0.64573632 0.57348619 1.0 Si Si32 1 0.70714838 0.35331917 0.07215193 1.0 Si Si33 1 0.64359432 0.29411045 0.42693314 1.0 Si Si34 1 0.35382815 0.70325655 0.92847905 1.0 Si Si35 1 0.20307278 0.13915565 0.67621749 1.0