# generated using pymatgen data_Nb3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79074299 _cell_length_b 7.79074299 _cell_length_c 7.79074299 _cell_angle_alpha 96.70841643 _cell_angle_beta 96.70841643 _cell_angle_gamma 140.02873751 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Ge _chemical_formula_sum 'Nb12 Ge4' _cell_volume 285.47615872 _cell_formula_units_Z 4 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 0.22936700 0.08004900 0.30941600 1.0 Nb Nb1 1 0.77063300 0.91995100 0.69058400 1.0 Nb Nb2 1 0.27063300 0.58004900 0.85068200 1.0 Nb Nb3 1 0.72936700 0.41995100 0.14931800 1.0 Nb Nb4 1 0.08004900 0.77063300 0.85068200 1.0 Nb Nb5 1 0.91995100 0.22936700 0.14931800 1.0 Nb Nb6 1 0.58004900 0.72936700 0.30941600 1.0 Nb Nb7 1 0.41995100 0.27063300 0.69058400 1.0 Nb Nb8 1 0.25000000 0.75000000 0.50000000 1.0 Nb Nb9 1 0.75000000 0.25000000 0.50000000 1.0 Nb Nb10 1 0.75000000 0.75000000 0.00000000 1.0 Nb Nb11 1 0.25000000 0.25000000 0.00000000 1.0 Ge Ge12 1 0.66231700 0.16231700 0.82463400 1.0 Ge Ge13 1 0.33768300 0.83768300 0.17536600 1.0 Ge Ge14 1 0.83768300 0.66231700 0.50000000 1.0 Ge Ge15 1 0.16231700 0.33768300 0.50000000 1.0