# generated using pymatgen data_Nb2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.91578300 _cell_length_b 8.88587600 _cell_length_c 15.24692225 _cell_angle_alpha 54.51645308 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2(PO4)3 _chemical_formula_sum 'Nb8 P12 O48' _cell_volume 983.59630009 _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 0.53161700 0.36782600 0.88268200 1.0 Nb Nb1 1 0.46660900 0.86672300 0.38252800 1.0 Nb Nb2 1 0.03161700 0.63217400 0.61731800 1.0 Nb Nb3 1 0.96660900 0.13327700 0.11747200 1.0 Nb Nb4 1 0.03339100 0.86672300 0.88252800 1.0 Nb Nb5 1 0.96838300 0.36782600 0.38268200 1.0 Nb Nb6 1 0.53339100 0.13327700 0.61747200 1.0 Nb Nb7 1 0.46838300 0.63217400 0.11731800 1.0 P P8 1 0.61152000 0.25189600 0.35589400 1.0 P P9 1 0.75052300 0.53345700 0.99757200 1.0 P P10 1 0.24947700 0.46654300 0.00242800 1.0 P P11 1 0.89100600 0.96593000 0.64360000 1.0 P P12 1 0.38848000 0.74810400 0.64410600 1.0 P P13 1 0.10899400 0.03407000 0.35640000 1.0 P P14 1 0.60899400 0.96593000 0.14360000 1.0 P P15 1 0.88848000 0.25189600 0.85589400 1.0 P P16 1 0.25052300 0.46654300 0.50242800 1.0 P P17 1 0.11152000 0.74810400 0.14410600 1.0 P P18 1 0.74947700 0.53345700 0.49757200 1.0 P P19 1 0.39100600 0.03407000 0.85640000 1.0 O O20 1 0.85676900 0.55928600 0.56693900 1.0 O O21 1 0.40687700 0.20489300 0.85808500 1.0 O O22 1 0.34571200 0.64026300 0.42584400 1.0 O O23 1 0.16430800 0.48676900 0.58260600 1.0 O O24 1 0.08584000 0.91294400 0.15044300 1.0 O O25 1 0.72016600 0.30273200 0.83663900 1.0 O O26 1 0.65048700 0.70698000 0.43268100 1.0 O O27 1 0.93619900 0.20163600 0.96668900 1.0 O O28 1 0.59312300 0.79510700 0.14191500 1.0 O O29 1 0.65428800 0.35973700 0.57415600 1.0 O O30 1 0.83569200 0.51323100 0.41739400 1.0 O O31 1 0.91416000 0.08705600 0.84955700 1.0 O O32 1 0.14323100 0.44071400 0.43306100 1.0 O O33 1 0.27983400 0.69726800 0.16336100 1.0 O O34 1 0.34951300 0.29302000 0.56731900 1.0 O O35 1 0.06380100 0.79836400 0.03331100 1.0 O O36 1 0.49324500 0.05941500 0.76686300 1.0 O O37 1 0.41416000 0.91294400 0.65044300 1.0 O O38 1 0.43998800 0.85801200 0.96429500 1.0 O O39 1 0.01470400 0.58394500 0.23129600 1.0 O O40 1 0.51470400 0.41605500 0.26870400 1.0 O O41 1 0.93998800 0.14198800 0.53570500 1.0 O O42 1 0.72542200 0.98355300 0.66600500 1.0 O O43 1 0.99324500 0.94058500 0.73313700 1.0 O O44 1 0.56380100 0.20163600 0.46668900 1.0 O O45 1 0.84951300 0.70698000 0.93268100 1.0 O O46 1 0.77983400 0.30273200 0.33663900 1.0 O O47 1 0.64323100 0.55928600 0.06693900 1.0 O O48 1 0.33569200 0.48676900 0.08260600 1.0 O O49 1 0.50675500 0.94058500 0.23313700 1.0 O O50 1 0.09312300 0.20489300 0.35808500 1.0 O O51 1 0.15428800 0.64026300 0.92584400 1.0 O O52 1 0.84571200 0.35973700 0.07415600 1.0 O O53 1 0.90687700 0.79510700 0.64191500 1.0 O O54 1 0.58584000 0.08705600 0.34955700 1.0 O O55 1 0.66430800 0.51323100 0.91739400 1.0 O O56 1 0.35676900 0.44071400 0.93306100 1.0 O O57 1 0.22016600 0.69726800 0.66336100 1.0 O O58 1 0.15048700 0.29302000 0.06731900 1.0 O O59 1 0.43619900 0.79836400 0.53331100 1.0 O O60 1 0.00675500 0.05941500 0.26686300 1.0 O O61 1 0.27457800 0.01644700 0.33399500 1.0 O O62 1 0.06001200 0.85801200 0.46429500 1.0 O O63 1 0.48529600 0.58394500 0.73129600 1.0 O O64 1 0.98529600 0.41605500 0.76870400 1.0 O O65 1 0.56001200 0.14198800 0.03570500 1.0 O O66 1 0.77457800 0.98355300 0.16600500 1.0 O O67 1 0.22542200 0.01644700 0.83399500 1.0