# generated using pymatgen data_Hf2Ti2NbSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63282739 _cell_length_b 6.77771780 _cell_length_c 12.88951358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ti2NbSi4 _chemical_formula_sum 'Hf8 Ti8 Nb4 Si16' _cell_volume 579.45365462 _cell_formula_units_Z 4 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 0.49649414 0.67343241 0.59605246 1.0 Hf Hf1 1 0.99649414 0.82656759 0.90394754 1.0 Hf Hf2 1 0.50350586 0.32656759 0.09605246 1.0 Hf Hf3 1 0.00350586 0.17343241 0.40394754 1.0 Hf Hf4 1 0.50350586 0.32656759 0.40394754 1.0 Hf Hf5 1 0.00350586 0.17343241 0.09605246 1.0 Hf Hf6 1 0.49649414 0.67343241 0.90394754 1.0 Hf Hf7 1 0.99649414 0.82656759 0.59605246 1.0 Ti Ti8 1 0.66007486 0.17459033 0.62464262 1.0 Ti Ti9 1 0.16007486 0.32540967 0.87535738 1.0 Ti Ti10 1 0.33992514 0.82540967 0.12464262 1.0 Ti Ti11 1 0.83992514 0.67459033 0.37535738 1.0 Ti Ti12 1 0.33992514 0.82540967 0.37535738 1.0 Ti Ti13 1 0.83992514 0.67459033 0.12464262 1.0 Ti Ti14 1 0.66007486 0.17459033 0.87535738 1.0 Ti Ti15 1 0.16007486 0.32540967 0.62464262 1.0 Nb Nb16 1 0.83187884 0.49650293 0.75000000 1.0 Nb Nb17 1 0.33187884 0.00349707 0.75000000 1.0 Nb Nb18 1 0.16812116 0.50349707 0.25000000 1.0 Nb Nb19 1 0.66812116 0.99650293 0.25000000 1.0 Si Si20 1 0.67136602 0.96287489 0.46312169 1.0 Si Si21 1 0.17136602 0.53712511 0.03687831 1.0 Si Si22 1 0.32863398 0.03712511 0.96312169 1.0 Si Si23 1 0.82863398 0.46287489 0.53687831 1.0 Si Si24 1 0.32863398 0.03712511 0.53687831 1.0 Si Si25 1 0.82863398 0.46287489 0.96312169 1.0 Si Si26 1 0.67136602 0.96287489 0.03687831 1.0 Si Si27 1 0.17136602 0.53712511 0.46312169 1.0 Si Si28 1 0.45545377 0.38280453 0.75000000 1.0 Si Si29 1 0.95545377 0.11719547 0.75000000 1.0 Si Si30 1 0.54454623 0.61719547 0.25000000 1.0 Si Si31 1 0.04454623 0.88280453 0.25000000 1.0 Si Si32 1 0.70096760 0.86751500 0.75000000 1.0 Si Si33 1 0.20096760 0.63248500 0.75000000 1.0 Si Si34 1 0.29903240 0.13248500 0.25000000 1.0 Si Si35 1 0.79903240 0.36751500 0.25000000 1.0