# generated using pymatgen data_Ta2NbSi6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78389808 _cell_length_b 4.78223830 _cell_length_c 6.58272607 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.98853427 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2NbSi6 _chemical_formula_sum 'Ta2 Nb1 Si6' _cell_volume 130.43667261 _cell_formula_units_Z 1 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 Ta Ta0 1 0.50000000 0.50000000 0.83182794 1.0 Ta Ta1 1 0.50000000 0.00000000 0.50150506 1.0 Nb Nb2 1 0.00000000 0.50000000 0.16666700 1.0 Si Si3 1 0.84217986 0.68290061 0.49981100 1.0 Si Si4 1 0.15782014 0.84072075 0.83352200 1.0 Si Si5 1 0.68164685 0.84082293 0.16666700 1.0 Si Si6 1 0.15782014 0.31709939 0.49981100 1.0 Si Si7 1 0.84217986 0.15927925 0.83352200 1.0 Si Si8 1 0.31835315 0.15917707 0.16666700 1.0