# generated using pymatgen data_Ta3Si6N11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.69948800 _cell_length_b 9.69948800 _cell_length_c 4.81576900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Si6N11 _chemical_formula_sum 'Ta6 Si12 N22' _cell_volume 453.06787240 _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 Ta Ta0 1 0.32634000 0.82634000 0.94555600 1.0 Ta Ta1 1 0.67366000 0.17366000 0.94555600 1.0 Ta Ta2 1 0.17366000 0.32634000 0.94555600 1.0 Ta Ta3 1 0.82634000 0.67366000 0.94555600 1.0 Ta Ta4 1 0.50000000 0.50000000 0.00433700 1.0 Ta Ta5 1 0.00000000 0.00000000 0.00433700 1.0 Si Si6 1 0.40402800 0.31406400 0.52795700 1.0 Si Si7 1 0.59597200 0.68593600 0.52795700 1.0 Si Si8 1 0.09597200 0.81406400 0.52795700 1.0 Si Si9 1 0.90402800 0.18593600 0.52795700 1.0 Si Si10 1 0.31406400 0.59597200 0.52795700 1.0 Si Si11 1 0.68593600 0.40402800 0.52795700 1.0 Si Si12 1 0.81406400 0.90402800 0.52795700 1.0 Si Si13 1 0.18593600 0.09597200 0.52795700 1.0 Si Si14 1 0.87248100 0.37248100 0.02823100 1.0 Si Si15 1 0.12751900 0.62751900 0.02823100 1.0 Si Si16 1 0.62751900 0.87248100 0.02823100 1.0 Si Si17 1 0.37248100 0.12751900 0.02823100 1.0 N N18 1 0.31288800 0.44129200 0.69956400 1.0 N N19 1 0.68711200 0.55870800 0.69956400 1.0 N N20 1 0.18711200 0.94129200 0.69956400 1.0 N N21 1 0.81288800 0.05870800 0.69956400 1.0 N N22 1 0.44129200 0.68711200 0.69956400 1.0 N N23 1 0.55870800 0.31288800 0.69956400 1.0 N N24 1 0.94129200 0.81288800 0.69956400 1.0 N N25 1 0.05870800 0.18711200 0.69956400 1.0 N N26 1 0.39216100 0.30018000 0.17279000 1.0 N N27 1 0.60783900 0.69982000 0.17279000 1.0 N N28 1 0.10783900 0.80018000 0.17279000 1.0 N N29 1 0.89216100 0.19982000 0.17279000 1.0 N N30 1 0.30018000 0.60783900 0.17279000 1.0 N N31 1 0.69982000 0.39216100 0.17279000 1.0 N N32 1 0.80018000 0.89216100 0.17279000 1.0 N N33 1 0.19982000 0.10783900 0.17279000 1.0 N N34 1 0.82333500 0.32333500 0.69449700 1.0 N N35 1 0.17666500 0.67666500 0.69449700 1.0 N N36 1 0.67666500 0.82333500 0.69449700 1.0 N N37 1 0.32333500 0.17666500 0.69449700 1.0 N N38 1 0.50000000 0.00000000 0.02639400 1.0 N N39 1 0.00000000 0.50000000 0.02639400 1.0