# generated using pymatgen data_Hf2Ti(NbSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82373174 _cell_length_b 6.82373174 _cell_length_c 12.54981397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ti(NbSi2)2 _chemical_formula_sum 'Hf8 Ti4 Nb8 Si16' _cell_volume 584.36093962 _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 0.34273937 0.00032902 0.46829932 1.0 Hf Hf1 1 0.49967198 0.84273937 0.71829932 1.0 Hf Hf2 1 0.50032802 0.15726063 0.21829932 1.0 Hf Hf3 1 0.84273937 0.49967198 0.28170068 1.0 Hf Hf4 1 0.15726063 0.50032802 0.78170068 1.0 Hf Hf5 1 0.65726063 0.99967198 0.96829932 1.0 Hf Hf6 1 0.00032902 0.34273937 0.53170068 1.0 Hf Hf7 1 0.99967198 0.65726063 0.03170068 1.0 Ti Ti8 1 0.32873079 0.32873079 0.00000000 1.0 Ti Ti9 1 0.17126921 0.82873079 0.25000000 1.0 Ti Ti10 1 0.82873079 0.17126921 0.75000000 1.0 Ti Ti11 1 0.67126921 0.67126921 0.50000000 1.0 Nb Nb12 1 0.15015904 0.00392913 0.87342816 1.0 Nb Nb13 1 0.49607087 0.65015904 0.12342816 1.0 Nb Nb14 1 0.50392913 0.34984096 0.62342816 1.0 Nb Nb15 1 0.65015904 0.49607087 0.87657184 1.0 Nb Nb16 1 0.34984096 0.50392913 0.37657184 1.0 Nb Nb17 1 0.84984096 0.99607087 0.37342816 1.0 Nb Nb18 1 0.00392913 0.15015904 0.12657184 1.0 Nb Nb19 1 0.99607087 0.84984096 0.62657184 1.0 Si Si20 1 0.20586285 0.13910533 0.67783132 1.0 Si Si21 1 0.36089467 0.70586285 0.92783132 1.0 Si Si22 1 0.63910533 0.29413715 0.42783132 1.0 Si Si23 1 0.70586285 0.36089467 0.07216868 1.0 Si Si24 1 0.29413715 0.63910533 0.57216868 1.0 Si Si25 1 0.79413715 0.86089467 0.17783132 1.0 Si Si26 1 0.13910533 0.20586285 0.32216868 1.0 Si Si27 1 0.86089467 0.79413715 0.82216868 1.0 Si Si28 1 0.29851168 0.95450114 0.06386148 1.0 Si Si29 1 0.54549886 0.79851168 0.31386148 1.0 Si Si30 1 0.45450114 0.20148832 0.81386148 1.0 Si Si31 1 0.79851168 0.54549886 0.68613852 1.0 Si Si32 1 0.20148832 0.45450114 0.18613852 1.0 Si Si33 1 0.70148832 0.04549886 0.56386148 1.0 Si Si34 1 0.95450114 0.29851168 0.93613852 1.0 Si Si35 1 0.04549886 0.70148832 0.43613852 1.0