# generated using pymatgen data_Nb2P4H3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12162700 _cell_length_b 7.53909692 _cell_length_c 8.22377586 _cell_angle_alpha 90.96147854 _cell_angle_beta 91.83453203 _cell_angle_gamma 103.52842591 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2P4H3O16 _chemical_formula_sum 'Nb2 P4 H3 O16' _cell_volume 308.47511277 _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 Nb Nb0 1 0.99825700 0.49715200 0.00309800 1.0 Nb Nb1 1 0.49958900 0.00176700 0.49856900 1.0 P P2 1 0.10820600 0.25721400 0.66279500 1.0 P P3 1 0.38339000 0.22874300 0.14521500 1.0 P P4 1 0.61058700 0.76256600 0.85083300 1.0 P P5 1 0.89141100 0.74405600 0.33741200 1.0 H H6 1 0.39672800 0.44737000 0.55160800 1.0 H H7 1 0.60066800 0.54988800 0.44368900 1.0 H H8 1 0.94707200 0.97860000 0.98658200 1.0 O O9 1 0.13838600 0.85129800 0.43701000 1.0 O O10 1 0.01995700 0.30944400 0.82948900 1.0 O O11 1 0.20277000 0.37370900 0.15459400 1.0 O O12 1 0.21226000 0.44527600 0.57358300 1.0 O O13 1 0.35105200 0.65924700 0.93327100 1.0 O O14 1 0.54070700 0.81083400 0.67575300 1.0 O O15 1 0.24150100 0.06412200 0.04795500 1.0 O O16 1 0.33258600 0.15533000 0.66884600 1.0 O O17 1 0.66712500 0.84604600 0.33046900 1.0 O O18 1 0.74581100 0.93724800 0.95061100 1.0 O O19 1 0.45769300 0.19143400 0.32488100 1.0 O O20 1 0.65139300 0.34219000 0.06868800 1.0 O O21 1 0.78826700 0.55652300 0.42765800 1.0 O O22 1 0.80392700 0.63073900 0.84423700 1.0 O O23 1 0.97788700 0.69192400 0.17021200 1.0 O O24 1 0.86165300 0.14918000 0.56304300 1.0