# generated using pymatgen data_Nb9Fe3Ge2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04328500 _cell_length_b 9.85072802 _cell_length_c 9.89916286 _cell_angle_alpha 93.73879191 _cell_angle_beta 104.75776202 _cell_angle_gamma 75.16801474 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb9Fe3Ge2 _chemical_formula_sum 'Nb18 Fe6 Ge4' _cell_volume 459.72163120 _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 0.24402400 0.50000000 0.50000000 1.0 Nb Nb1 1 0.75597600 0.50000000 0.50000000 1.0 Nb Nb2 1 0.33083000 0.07803800 0.73969800 1.0 Nb Nb3 1 0.66917000 0.92196200 0.26030200 1.0 Nb Nb4 1 0.83227300 0.25753000 0.92207500 1.0 Nb Nb5 1 0.16772700 0.74247000 0.07792500 1.0 Nb Nb6 1 0.58980300 0.74247000 0.92207500 1.0 Nb Nb7 1 0.41019700 0.25753000 0.07792500 1.0 Nb Nb8 1 0.90886800 0.92196200 0.73969800 1.0 Nb Nb9 1 0.09113200 0.07803800 0.26030200 1.0 Nb Nb10 1 0.43138800 0.77300900 0.63578500 1.0 Nb Nb11 1 0.56861200 0.22699100 0.36421500 1.0 Nb Nb12 1 0.93292000 0.36012600 0.22596700 1.0 Nb Nb13 1 0.06708000 0.63987400 0.77403300 1.0 Nb Nb14 1 0.79304700 0.63987400 0.22596700 1.0 Nb Nb15 1 0.20695300 0.36012600 0.77403300 1.0 Nb Nb16 1 0.70439700 0.22699100 0.63578500 1.0 Nb Nb17 1 0.29560300 0.77300900 0.36421500 1.0 Fe Fe18 1 0.86588400 0.76823100 0.50000000 1.0 Fe Fe19 1 0.13411600 0.23176900 0.50000000 1.0 Fe Fe20 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe21 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe22 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe23 1 0.00000000 0.50000000 0.00000000 1.0 Ge Ge24 1 0.50000000 0.00000000 0.00000000 1.0 Ge Ge25 1 0.00000000 0.00000000 0.00000000 1.0 Ge Ge26 1 0.36955600 0.50000000 0.23911100 1.0 Ge Ge27 1 0.63044400 0.50000000 0.76088900 1.0