# generated using pymatgen data_NbVO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89200500 _cell_length_b 4.65376900 _cell_length_c 11.63078683 _cell_angle_alpha 89.85194238 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVO4 _chemical_formula_sum 'Nb4 V4 O16' _cell_volume 264.78864712 _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 0.25755000 0.49885900 0.67599800 1.0 Nb Nb1 1 0.24245000 0.99885900 0.17599800 1.0 Nb Nb2 1 0.75755000 0.00114100 0.82400200 1.0 Nb Nb3 1 0.74245000 0.50114100 0.32400200 1.0 V V4 1 0.25298900 0.50008300 0.93934800 1.0 V V5 1 0.24701100 0.00008300 0.43934800 1.0 V V6 1 0.75298900 0.99991700 0.56065200 1.0 V V7 1 0.74701100 0.49991700 0.06065200 1.0 O O8 1 0.07819600 0.72657300 0.81259000 1.0 O O9 1 0.58173100 0.74289800 0.93773600 1.0 O O10 1 0.42180400 0.22657300 0.31259000 1.0 O O11 1 0.42699000 0.27228700 0.81256400 1.0 O O12 1 0.91826900 0.24289800 0.43773600 1.0 O O13 1 0.91932400 0.25765300 0.93875100 1.0 O O14 1 0.41932400 0.24234700 0.56124900 1.0 O O15 1 0.92699000 0.22771300 0.68743600 1.0 O O16 1 0.07301000 0.77228700 0.31256400 1.0 O O17 1 0.58067600 0.75765300 0.43875100 1.0 O O18 1 0.08067600 0.74234700 0.06124900 1.0 O O19 1 0.08173100 0.75710200 0.56226400 1.0 O O20 1 0.57301000 0.72771300 0.18743600 1.0 O O21 1 0.57819600 0.77342700 0.68741000 1.0 O O22 1 0.41826900 0.25710200 0.06226400 1.0 O O23 1 0.92180400 0.27342700 0.18741000 1.0