# generated using pymatgen data_VP2H8(NO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42574900 _cell_length_b 8.42574900 _cell_length_c 5.81121800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VP2H8(NO4)2 _chemical_formula_sum 'V2 P4 H16 N4 O16' _cell_volume 412.55723026 _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 V V0 1 0.50000000 0.50000000 0.09692600 1.0 V V1 1 0.00000000 0.00000000 0.09692600 1.0 P P2 1 0.87178700 0.62821300 0.11197400 1.0 P P3 1 0.37178700 0.87178700 0.11197400 1.0 P P4 1 0.62821300 0.12821300 0.11197400 1.0 P P5 1 0.12821300 0.37178700 0.11197400 1.0 H H6 1 0.09807200 0.59807200 0.69433000 1.0 H H7 1 0.24912300 0.60837600 0.50914900 1.0 H H8 1 0.23733400 0.73733400 0.73077200 1.0 H H9 1 0.10837600 0.74912300 0.50914900 1.0 H H10 1 0.60837600 0.75087700 0.50914900 1.0 H H11 1 0.73733400 0.76266600 0.73077200 1.0 H H12 1 0.74912300 0.89162400 0.50914900 1.0 H H13 1 0.59807200 0.90192800 0.69433000 1.0 H H14 1 0.40192800 0.09807200 0.69433000 1.0 H H15 1 0.25087700 0.10837600 0.50914900 1.0 H H16 1 0.26266600 0.23733400 0.73077200 1.0 H H17 1 0.39162400 0.24912300 0.50914900 1.0 H H18 1 0.89162400 0.25087700 0.50914900 1.0 H H19 1 0.76266600 0.26266600 0.73077200 1.0 H H20 1 0.75087700 0.39162400 0.50914900 1.0 H H21 1 0.90192800 0.40192800 0.69433000 1.0 N N22 1 0.17375700 0.67375700 0.61051300 1.0 N N23 1 0.67375700 0.82624300 0.61051300 1.0 N N24 1 0.32624300 0.17375700 0.61051300 1.0 N N25 1 0.82624300 0.32624300 0.61051300 1.0 O O26 1 0.50000000 0.50000000 0.37909500 1.0 O O27 1 0.00000000 0.50000000 0.00434500 1.0 O O28 1 0.71513300 0.57593600 0.99637800 1.0 O O29 1 0.87310600 0.62689400 0.36894700 1.0 O O30 1 0.42406400 0.71513300 0.99637800 1.0 O O31 1 0.92406400 0.78486700 0.99637800 1.0 O O32 1 0.37310600 0.87310600 0.36894700 1.0 O O33 1 0.21513300 0.92406400 0.99637800 1.0 O O34 1 0.00000000 0.00000000 0.37909500 1.0 O O35 1 0.50000000 0.00000000 0.00434500 1.0 O O36 1 0.78486700 0.07593600 0.99637800 1.0 O O37 1 0.62689400 0.12689400 0.36894700 1.0 O O38 1 0.07593600 0.21513300 0.99637800 1.0 O O39 1 0.57593600 0.28486700 0.99637800 1.0 O O40 1 0.12689400 0.37310600 0.36894700 1.0 O O41 1 0.28486700 0.42406400 0.99637800 1.0