# generated using pymatgen data_Nb(FeGe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01489977 _cell_length_b 5.01491607 _cell_length_c 8.14552872 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99921043 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb(FeGe)6 _chemical_formula_sum 'Nb1 Fe6 Ge6' _cell_volume 177.41048877 _cell_formula_units_Z 1 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 0.00000000 0.00000000 -0.00000000 1.0 Fe Fe1 1 0.00000000 0.50000000 0.75088166 1.0 Fe Fe2 1 0.50000000 0.00000000 0.24911924 1.0 Fe Fe3 1 0.50000000 0.50000000 0.24911908 1.0 Fe Fe4 1 0.00000000 0.50000000 0.24911834 1.0 Fe Fe5 1 0.50000000 0.00000000 0.75088076 1.0 Fe Fe6 1 0.50000000 0.50000000 0.75088092 1.0 Ge Ge7 1 0.00000000 0.00000000 0.66256560 1.0 Ge Ge8 1 0.33333795 0.66666213 0.50000000 1.0 Ge Ge9 1 0.66666205 0.33333787 0.50000000 1.0 Ge Ge10 1 0.33333535 0.66666053 -0.00000000 1.0 Ge Ge11 1 0.66666465 0.33333947 -0.00000000 1.0 Ge Ge12 1 0.00000000 0.00000000 0.33743440 1.0