# generated using pymatgen data_Hf3Zr4Nb3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97863531 _cell_length_b 6.97492367 _cell_length_c 12.81875035 _cell_angle_alpha 90.19980151 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr4Nb3Si8 _chemical_formula_sum 'Hf6 Zr8 Nb6 Si16' _cell_volume 623.95462990 _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 0.00446730 0.14828592 0.12738667 1.0 Hf Hf1 1 0.99780387 0.85298750 0.62657154 1.0 Hf Hf2 1 0.64701188 0.49645367 0.87714197 1.0 Hf Hf3 1 0.50446730 0.35171408 0.62261333 1.0 Hf Hf4 1 0.49780387 0.64701250 0.12342846 1.0 Hf Hf5 1 0.14701188 0.00354633 0.87285803 1.0 Zr Zr6 1 0.00105765 0.65537456 0.03431519 1.0 Zr Zr7 1 0.99935409 0.34492033 0.53021388 1.0 Zr Zr8 1 0.65484497 0.00035198 0.96825663 1.0 Zr Zr9 1 0.15484497 0.49964802 0.78174337 1.0 Zr Zr10 1 0.84507499 0.50077728 0.28346346 1.0 Zr Zr11 1 0.49935409 0.15507967 0.21978612 1.0 Zr Zr12 1 0.50105765 0.84462544 0.71568481 1.0 Zr Zr13 1 0.34507499 0.99922272 0.46653654 1.0 Nb Nb14 1 0.35261127 0.50508419 0.37656642 1.0 Nb Nb15 1 0.85261127 0.99491581 0.37343358 1.0 Nb Nb16 1 0.67392716 0.67239603 0.49848913 1.0 Nb Nb17 1 0.82639825 0.17400915 0.74914218 1.0 Nb Nb18 1 0.17392716 0.82760397 0.25151087 1.0 Nb Nb19 1 0.32639825 0.32599085 0.00085782 1.0 Si Si20 1 0.04972880 0.70241277 0.43592515 1.0 Si Si21 1 0.95225362 0.30068972 0.93664435 1.0 Si Si22 1 0.70158270 0.04815742 0.56161461 1.0 Si Si23 1 0.20158270 0.45184258 0.18838539 1.0 Si Si24 1 0.80018956 0.54824117 0.68585968 1.0 Si Si25 1 0.45225362 0.19931028 0.81335565 1.0 Si Si26 1 0.54972880 0.79758723 0.31407485 1.0 Si Si27 1 0.30018956 0.95175883 0.06414032 1.0 Si Si28 1 0.85567804 0.79447850 0.82160963 1.0 Si Si29 1 0.13878444 0.20867409 0.32452493 1.0 Si Si30 1 0.79391546 0.85863678 0.17984593 1.0 Si Si31 1 0.29391546 0.64136322 0.57015407 1.0 Si Si32 1 0.70531494 0.35545175 0.07257675 1.0 Si Si33 1 0.63878444 0.29132591 0.42547507 1.0 Si Si34 1 0.35567804 0.70552150 0.92839037 1.0 Si Si35 1 0.20531494 0.14454825 0.67742325 1.0