# generated using pymatgen data_Nb18P3O50 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72673600 _cell_length_b 11.65994312 _cell_length_c 11.66357952 _cell_angle_alpha 88.00149180 _cell_angle_beta 100.57583629 _cell_angle_gamma 101.03782162 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb18P3O50 _chemical_formula_sum 'Nb18 P3 O50' _cell_volume 1013.85135873 _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 0.38802600 0.67967800 0.87928100 1.0 Nb Nb1 1 0.88962200 0.68104700 0.88094300 1.0 Nb Nb2 1 0.34514100 0.80791100 0.56253400 1.0 Nb Nb3 1 0.83900300 0.80095200 0.56043200 1.0 Nb Nb4 1 0.05911500 0.44040300 0.80032900 1.0 Nb Nb5 1 0.56376600 0.43848400 0.81199000 1.0 Nb Nb6 1 0.04620000 0.87572900 0.31815800 1.0 Nb Nb7 1 0.55108200 0.88580700 0.32050500 1.0 Nb Nb8 1 0.50029900 0.99889200 0.99907400 1.0 Nb Nb9 1 0.00107000 0.00066900 0.00062700 1.0 Nb Nb10 1 0.45371400 0.12169000 0.68065700 1.0 Nb Nb11 1 0.95364900 0.11965700 0.68030200 1.0 Nb Nb12 1 0.43821700 0.56510500 0.19357100 1.0 Nb Nb13 1 0.94099700 0.55868500 0.19838100 1.0 Nb Nb14 1 0.15682300 0.19141300 0.43679600 1.0 Nb Nb15 1 0.66160300 0.20164100 0.44178700 1.0 Nb Nb16 1 0.10777600 0.32065100 0.11696500 1.0 Nb Nb17 1 0.60928900 0.31776400 0.12432800 1.0 P P18 1 0.61301800 0.49185600 0.46291100 1.0 P P19 1 0.13535700 0.53735400 0.49519200 1.0 P P20 1 0.37564000 0.46363000 0.54238500 1.0 O O21 1 0.43712000 0.83289000 0.93491500 1.0 O O22 1 0.94187600 0.83366200 0.93356000 1.0 O O23 1 0.39518500 0.96599200 0.61297900 1.0 O O24 1 0.88741000 0.95948100 0.61211000 1.0 O O25 1 0.12189500 0.63644200 0.85676600 1.0 O O26 1 0.62506500 0.63623600 0.86303800 1.0 O O27 1 0.36495800 0.73843900 0.70796900 1.0 O O28 1 0.85919600 0.73486100 0.70758000 1.0 O O29 1 0.06316000 0.38580300 0.95767400 1.0 O O30 1 0.59017400 0.39115300 0.96899900 1.0 O O31 1 0.07274500 0.81444900 0.51393200 1.0 O O32 1 0.57482100 0.80994600 0.50927900 1.0 O O33 1 0.31752100 0.48616500 0.83148800 1.0 O O34 1 0.81788800 0.49120000 0.79971400 1.0 O O35 1 0.30639300 0.86890600 0.36245700 1.0 O O36 1 0.80171800 0.85507300 0.36395900 1.0 O O37 1 0.06759500 0.51956700 0.61153500 1.0 O O38 1 0.46924600 0.51921400 0.66180500 1.0 O O39 1 0.02315800 0.93365500 0.16692100 1.0 O O40 1 0.52605100 0.93500000 0.16583600 1.0 O O41 1 0.24113300 0.65999700 0.47085700 1.0 O O42 1 0.73314800 0.61089400 0.48622500 1.0 O O43 1 0.01528400 0.29390400 0.73323800 1.0 O O44 1 0.51494100 0.29318000 0.74164900 1.0 O O45 1 0.25069900 0.00169800 0.99979400 1.0 O O46 1 0.74909100 0.99925000 0.99890900 1.0 O O47 1 0.99043200 0.70810700 0.26250300 1.0 O O48 1 0.48785600 0.70921100 0.26301300 1.0 O O49 1 0.28838900 0.33445500 0.53956300 1.0 O O50 1 0.69543600 0.38236900 0.49934200 1.0 O O51 1 0.47643100 0.06536800 0.83256700 1.0 O O52 1 0.97415300 0.06742300 0.83277500 1.0 O O53 1 0.49550000 0.47371900 0.33996900 1.0 O O54 1 0.00680900 0.49261800 0.38318600 1.0 O O55 1 0.19593800 0.13323400 0.63805300 1.0 O O56 1 0.69962500 0.14575600 0.63526200 1.0 O O57 1 0.68505600 0.51178100 0.18636300 1.0 O O58 1 0.18089400 0.51042500 0.18892600 1.0 O O59 1 0.42404200 0.17129000 0.48365300 1.0 O O60 1 0.92663200 0.19949800 0.49057800 1.0 O O61 1 0.42147200 0.61405700 0.03504000 1.0 O O62 1 0.92099800 0.61231800 0.03955100 1.0 O O63 1 0.13719700 0.26316000 0.29315300 1.0 O O64 1 0.63197300 0.26236400 0.29144200 1.0 O O65 1 0.37081100 0.36207400 0.13249400 1.0 O O66 1 0.87702600 0.36431300 0.14612900 1.0 O O67 1 0.09832200 0.03486600 0.38864500 1.0 O O68 1 0.62321500 0.04125100 0.38611600 1.0 O O69 1 0.05808500 0.16718700 0.06614600 1.0 O O70 1 0.56182900 0.16707600 0.06519800 1.0