# generated using pymatgen data_Nb4GeSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.03568899 _cell_length_b 14.03568899 _cell_length_c 6.07341350 _cell_angle_alpha 77.39781933 _cell_angle_beta 77.39781933 _cell_angle_gamma 14.39796619 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4GeSe8 _chemical_formula_sum 'Nb4 Ge1 Se8' _cell_volume 290.22462193 _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 0.13115797 0.13115797 0.85846304 1.0 Nb Nb1 1 0.63189278 0.63189278 0.37985327 1.0 Nb Nb2 1 0.86884203 0.86884203 0.14153696 1.0 Nb Nb3 1 0.36810722 0.36810722 0.62014673 1.0 Ge Ge4 1 0.50000000 0.50000000 0.50000000 1.0 Se Se5 1 0.56830704 0.56830704 0.76928416 1.0 Se Se6 1 0.07046043 0.07046043 0.26134427 1.0 Se Se7 1 0.92953957 0.92953957 0.73865573 1.0 Se Se8 1 0.43169296 0.43169296 0.23071584 1.0 Se Se9 1 0.80948384 0.80948384 0.85897162 1.0 Se Se10 1 0.30727159 0.30727159 0.35791879 1.0 Se Se11 1 0.69272841 0.69272841 0.64208121 1.0 Se Se12 1 0.19051616 0.19051616 0.14102838 1.0