# generated using pymatgen data_Nb5Ge3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61671028 _cell_length_b 7.61671097 _cell_length_c 5.49363290 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999267 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb5Ge3N _chemical_formula_sum 'Nb10 Ge6 N2' _cell_volume 276.01025037 _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 Nb Nb0 1 0.23014286 1.00000000 0.25000000 1.0 Nb Nb1 1 0.76985714 0.00000000 0.75000000 1.0 Nb Nb2 1 1.00000000 0.23014286 0.25000000 1.0 Nb Nb3 1 0.00000000 0.76985714 0.75000000 1.0 Nb Nb4 1 0.76985714 0.76985714 0.25000000 1.0 Nb Nb5 1 0.23014286 0.23014286 0.75000000 1.0 Nb Nb6 1 0.33333300 0.66666700 0.00000000 1.0 Nb Nb7 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb8 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb9 1 0.33333300 0.66666700 0.50000000 1.0 Ge Ge10 1 0.59406863 1.00000000 0.25000000 1.0 Ge Ge11 1 0.40593137 0.00000000 0.75000000 1.0 Ge Ge12 1 1.00000000 0.59406863 0.25000000 1.0 Ge Ge13 1 0.00000000 0.40593137 0.75000000 1.0 Ge Ge14 1 0.40593137 0.40593137 0.25000000 1.0 Ge Ge15 1 0.59406863 0.59406863 0.75000000 1.0 N N16 1 0.00000000 0.00000000 0.00000000 1.0 N N17 1 0.00000000 0.00000000 0.50000000 1.0