# generated using pymatgen data_Ti2NbSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67218398 _cell_length_b 6.67218398 _cell_length_c 3.45797865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.56507527 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2NbSi2 _chemical_formula_sum 'Ti4 Nb2 Si4' _cell_volume 153.93494196 _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 Ti Ti0 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti2 1 0.67085890 0.17085890 0.50000000 1.0 Ti Ti3 1 0.32914110 0.82914110 0.50000000 1.0 Nb Nb4 1 0.17183944 0.32816056 0.50000000 1.0 Nb Nb5 1 0.82816056 0.67183944 0.50000000 1.0 Si Si6 1 0.12957893 0.62957893 0.00000000 1.0 Si Si7 1 0.87042107 0.37042107 0.00000000 1.0 Si Si8 1 0.62415353 0.87584647 0.00000000 1.0 Si Si9 1 0.37584647 0.12415353 0.00000000 1.0