# generated using pymatgen data_NbV2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91529900 _cell_length_b 8.91529900 _cell_length_c 8.91529900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbV2O7 _chemical_formula_sum 'Nb4 V8 O28' _cell_volume 708.61075434 _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 0.00000000 0.00000000 0.00000000 1.0 Nb Nb1 1 0.00000000 0.50000000 0.50000000 1.0 Nb Nb2 1 0.50000000 0.00000000 0.50000000 1.0 Nb Nb3 1 0.50000000 0.50000000 0.00000000 1.0 V V4 1 0.11558800 0.88441200 0.38441200 1.0 V V5 1 0.11558800 0.61558800 0.88441200 1.0 V V6 1 0.38441200 0.38441200 0.38441200 1.0 V V7 1 0.38441200 0.11558800 0.88441200 1.0 V V8 1 0.61558800 0.61558800 0.61558800 1.0 V V9 1 0.61558800 0.88441200 0.11558800 1.0 V V10 1 0.88441200 0.11558800 0.61558800 1.0 V V11 1 0.88441200 0.38441200 0.11558800 1.0 O O12 1 0.00000000 0.00000000 0.50000000 1.0 O O13 1 0.00000000 0.50000000 0.00000000 1.0 O O14 1 0.06149000 0.69822100 0.41037400 1.0 O O15 1 0.06149000 0.80177900 0.91037400 1.0 O O16 1 0.08962600 0.56149000 0.69822100 1.0 O O17 1 0.08962600 0.93851000 0.19822100 1.0 O O18 1 0.19822100 0.08962600 0.93851000 1.0 O O19 1 0.19822100 0.41037400 0.43851000 1.0 O O20 1 0.30177900 0.58962600 0.93851000 1.0 O O21 1 0.30177900 0.91037400 0.43851000 1.0 O O22 1 0.41037400 0.06149000 0.69822100 1.0 O O23 1 0.41037400 0.43851000 0.19822100 1.0 O O24 1 0.43851000 0.30177900 0.91037400 1.0 O O25 1 0.43851000 0.19822100 0.41037400 1.0 O O26 1 0.50000000 0.50000000 0.50000000 1.0 O O27 1 0.50000000 0.00000000 0.00000000 1.0 O O28 1 0.56149000 0.69822100 0.08962600 1.0 O O29 1 0.56149000 0.80177900 0.58962600 1.0 O O30 1 0.58962600 0.56149000 0.80177900 1.0 O O31 1 0.58962600 0.93851000 0.30177900 1.0 O O32 1 0.69822100 0.08962600 0.56149000 1.0 O O33 1 0.69822100 0.41037400 0.06149000 1.0 O O34 1 0.80177900 0.58962600 0.56149000 1.0 O O35 1 0.80177900 0.91037400 0.06149000 1.0 O O36 1 0.91037400 0.06149000 0.80177900 1.0 O O37 1 0.91037400 0.43851000 0.30177900 1.0 O O38 1 0.93851000 0.19822100 0.08962600 1.0 O O39 1 0.93851000 0.30177900 0.58962600 1.0