# generated using pymatgen data_Nb5GeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36931922 _cell_length_b 7.36931876 _cell_length_c 7.36931916 _cell_angle_alpha 129.37143913 _cell_angle_beta 129.37144295 _cell_angle_gamma 74.41364006 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb5GeB2 _chemical_formula_sum 'Nb10 Ge2 B4' _cell_volume 233.10206566 _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 0.53172436 0.69585687 0.50000000 1.0 Nb Nb1 1 0.19585687 0.03172436 0.50000000 1.0 Nb Nb2 1 0.03172436 0.53172436 0.83586650 1.0 Nb Nb3 1 0.69585687 0.19585687 0.16413350 1.0 Nb Nb4 1 0.46827564 0.30414313 0.50000000 1.0 Nb Nb5 1 0.80414313 0.96827564 0.50000000 1.0 Nb Nb6 1 0.96827564 0.46827564 0.16413350 1.0 Nb Nb7 1 0.30414313 0.80414313 0.83586650 1.0 Nb Nb8 1 0.50000000 0.50000000 0.00000000 1.0 Nb Nb9 1 0.00000000 0.00000000 0.00000000 1.0 Ge Ge10 1 0.25000000 0.25000000 0.00000000 1.0 Ge Ge11 1 0.75000000 0.75000000 0.00000000 1.0 B B12 1 0.88642433 0.61357567 0.50000000 1.0 B B13 1 0.11357567 0.38642433 0.50000000 1.0 B B14 1 0.38642433 0.88642433 0.27284766 1.0 B B15 1 0.61357567 0.11357567 0.72715234 1.0