# generated using pymatgen data_V2NiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94896600 _cell_length_b 5.12828508 _cell_length_c 5.27871557 _cell_angle_alpha 114.45703099 _cell_angle_beta 92.51171911 _cell_angle_gamma 118.78432972 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2NiO6 _chemical_formula_sum 'V2 Ni1 O6' _cell_volume 101.79654793 _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 V V0 1 0.00579800 0.98158000 0.96641000 1.0 V V1 1 0.04073400 0.49667100 0.45896800 1.0 Ni Ni2 1 0.60336000 0.30242400 0.09710800 1.0 O O3 1 0.47662600 0.85962300 0.28012600 1.0 O O4 1 0.85375800 0.60520400 0.27277100 1.0 O O5 1 0.12625400 0.25637200 0.29597500 1.0 O O6 1 0.87532300 0.75599600 0.77863600 1.0 O O7 1 0.04790900 0.33945900 0.80077600 1.0 O O8 1 0.46943700 0.15187000 0.80083300 1.0