# generated using pymatgen data_In3Ge6N11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.24005600 _cell_length_b 10.24005600 _cell_length_c 5.15506200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3Ge6N11 _chemical_formula_sum 'In6 Ge12 N22' _cell_volume 540.55334142 _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 In In0 1 0.31430300 0.81430300 0.95226900 1.0 In In1 1 0.68569700 0.18569700 0.95226900 1.0 In In2 1 0.18569700 0.31430300 0.95226900 1.0 In In3 1 0.81430300 0.68569700 0.95226900 1.0 In In4 1 0.50000000 0.50000000 0.96554300 1.0 In In5 1 0.00000000 0.00000000 0.96554300 1.0 Ge Ge6 1 0.41961800 0.29139000 0.52778700 1.0 Ge Ge7 1 0.58038200 0.70861000 0.52778700 1.0 Ge Ge8 1 0.08038200 0.79139000 0.52778700 1.0 Ge Ge9 1 0.91961800 0.20861000 0.52778700 1.0 Ge Ge10 1 0.29139000 0.58038200 0.52778700 1.0 Ge Ge11 1 0.70861000 0.41961800 0.52778700 1.0 Ge Ge12 1 0.79139000 0.91961800 0.52778700 1.0 Ge Ge13 1 0.20861000 0.08038200 0.52778700 1.0 Ge Ge14 1 0.87894000 0.37894000 0.04071000 1.0 Ge Ge15 1 0.12106000 0.62106000 0.04071000 1.0 Ge Ge16 1 0.62106000 0.87894000 0.04071000 1.0 Ge Ge17 1 0.37894000 0.12106000 0.04071000 1.0 N N18 1 0.31848800 0.42109100 0.68346700 1.0 N N19 1 0.68151200 0.57890900 0.68346700 1.0 N N20 1 0.18151200 0.92109100 0.68346700 1.0 N N21 1 0.81848800 0.07890900 0.68346700 1.0 N N22 1 0.42109100 0.68151200 0.68346700 1.0 N N23 1 0.57890900 0.31848800 0.68346700 1.0 N N24 1 0.92109100 0.81848800 0.68346700 1.0 N N25 1 0.07890900 0.18151200 0.68346700 1.0 N N26 1 0.40140300 0.29503000 0.16904700 1.0 N N27 1 0.59859700 0.70497000 0.16904700 1.0 N N28 1 0.09859700 0.79503000 0.16904700 1.0 N N29 1 0.90140300 0.20497000 0.16904700 1.0 N N30 1 0.29503000 0.59859700 0.16904700 1.0 N N31 1 0.70497000 0.40140300 0.16904700 1.0 N N32 1 0.79503000 0.90140300 0.16904700 1.0 N N33 1 0.20497000 0.09859700 0.16904700 1.0 N N34 1 0.85950500 0.35950500 0.68217800 1.0 N N35 1 0.14049500 0.64049500 0.68217800 1.0 N N36 1 0.64049500 0.85950500 0.68217800 1.0 N N37 1 0.35950500 0.14049500 0.68217800 1.0 N N38 1 0.50000000 0.00000000 0.13148300 1.0 N N39 1 0.00000000 0.50000000 0.13148300 1.0