# generated using pymatgen data_Hf3TiNbSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74559062 _cell_length_b 7.74559220 _cell_length_c 5.28353383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998901 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3TiNbSi3 _chemical_formula_sum 'Hf6 Ti2 Nb2 Si6' _cell_volume 274.51389995 _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 0.74824639 0.74824639 0.75469361 1.0 Hf Hf1 1 0.25175361 1.00000000 0.75469361 1.0 Hf Hf2 1 1.00000000 0.25175361 0.75469361 1.0 Hf Hf3 1 0.25175361 0.25175361 0.24530639 1.0 Hf Hf4 1 0.74824639 0.00000000 0.24530639 1.0 Hf Hf5 1 0.00000000 0.74824639 0.24530639 1.0 Ti Ti6 1 0.33333300 0.66666700 0.50000000 1.0 Ti Ti7 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb8 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb9 1 0.33333300 0.66666700 0.00000000 1.0 Si Si10 1 0.39542646 0.39542646 0.74419562 1.0 Si Si11 1 0.60457354 1.00000000 0.74419562 1.0 Si Si12 1 1.00000000 0.60457354 0.74419562 1.0 Si Si13 1 0.60457354 0.60457354 0.25580438 1.0 Si Si14 1 0.39542646 0.00000000 0.25580438 1.0 Si Si15 1 0.00000000 0.39542646 0.25580438 1.0