# generated using pymatgen data_Hf6ZrNb3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94883567 _cell_length_b 6.94380125 _cell_length_c 12.75138418 _cell_angle_alpha 90.16560797 _cell_angle_beta 89.99027056 _cell_angle_gamma 90.00088029 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6ZrNb3Si8 _chemical_formula_sum 'Hf12 Zr2 Nb6 Si16' _cell_volume 615.26871636 _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 Hf Hf0 1 0.00403512 0.14750836 0.12724673 1.0 Hf Hf1 1 0.99832371 0.85300103 0.62663433 1.0 Hf Hf2 1 0.64680728 0.49712910 0.87763400 1.0 Hf Hf3 1 0.50459625 0.35189080 0.62292098 1.0 Hf Hf4 1 0.49828910 0.64624561 0.12336932 1.0 Hf Hf5 1 0.14635251 0.00356034 0.87342666 1.0 Hf Hf6 1 0.00041486 0.65620448 0.03392742 1.0 Hf Hf7 1 0.99911933 0.34417204 0.52930962 1.0 Hf Hf8 1 0.65624924 0.00009388 0.96931418 1.0 Hf Hf9 1 0.15541191 0.49977916 0.78142733 1.0 Hf Hf10 1 0.84424876 0.50045204 0.28255490 1.0 Hf Hf11 1 0.49959788 0.15605801 0.22028228 1.0 Zr Zr12 1 0.50001084 0.84350079 0.71644877 1.0 Zr Zr13 1 0.34442928 0.00011156 0.46653556 1.0 Nb Nb14 1 0.35289409 0.50423449 0.37616206 1.0 Nb Nb15 1 0.85263006 0.99593496 0.37295626 1.0 Nb Nb16 1 0.67439702 0.67151436 0.49822134 1.0 Nb Nb17 1 0.82686244 0.17419981 0.74960065 1.0 Nb Nb18 1 0.17380368 0.82767353 0.25097090 1.0 Nb Nb19 1 0.32660404 0.32607179 0.00117310 1.0 Si Si20 1 0.04804956 0.69991467 0.43517736 1.0 Si Si21 1 0.95341778 0.30318471 0.93658041 1.0 Si Si22 1 0.70172864 0.04825539 0.56170840 1.0 Si Si23 1 0.19910965 0.45318156 0.18778134 1.0 Si Si24 1 0.80294101 0.54670229 0.68569305 1.0 Si Si25 1 0.45311044 0.19835786 0.81427771 1.0 Si Si26 1 0.54967804 0.79873817 0.31374938 1.0 Si Si27 1 0.30269607 0.95291287 0.06462371 1.0 Si Si28 1 0.85565894 0.79429714 0.82261660 1.0 Si Si29 1 0.13854219 0.20972418 0.32438574 1.0 Si Si30 1 0.79415300 0.85737983 0.17903353 1.0 Si Si31 1 0.29256828 0.63995741 0.57028783 1.0 Si Si32 1 0.70515259 0.35403596 0.07334667 1.0 Si Si33 1 0.64028808 0.29224502 0.42485113 1.0 Si Si34 1 0.35393506 0.70492403 0.92831357 1.0 Si Si35 1 0.20389426 0.14685276 0.67745716 1.0