# generated using pymatgen data_NbFe7(PO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80642100 _cell_length_b 8.83490697 _cell_length_c 12.30886837 _cell_angle_alpha 90.12726695 _cell_angle_beta 90.00015361 _cell_angle_gamma 90.17449645 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbFe7(PO4)12 _chemical_formula_sum 'Nb1 Fe7 P12 O48' _cell_volume 957.67128631 _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 0.74709100 0.46513000 0.61813300 1.0 Fe Fe1 1 0.25062600 0.96411100 0.61918400 1.0 Fe Fe2 1 0.25253000 0.53286800 0.38244700 1.0 Fe Fe3 1 0.24844500 0.03490000 0.11879000 1.0 Fe Fe4 1 0.24956100 0.46461500 0.88168900 1.0 Fe Fe5 1 0.75098300 0.53760200 0.11906000 1.0 Fe Fe6 1 0.75210400 0.96332000 0.88081100 1.0 Fe Fe7 1 0.74999600 0.03841300 0.38065700 1.0 P P8 1 0.03443200 0.24785500 0.49854000 1.0 P P9 1 0.46960600 0.74967700 0.00044900 1.0 P P10 1 0.53094900 0.25046500 0.00078100 1.0 P P11 1 0.96869700 0.75117000 0.49867000 1.0 P P12 1 0.10812300 0.39379800 0.14415800 1.0 P P13 1 0.11030900 0.10638300 0.85624900 1.0 P P14 1 0.38504400 0.60532000 0.64585300 1.0 P P15 1 0.38874900 0.89421700 0.35539100 1.0 P P16 1 0.61018700 0.10270400 0.64402800 1.0 P P17 1 0.61028500 0.39394000 0.35262700 1.0 P P18 1 0.89200400 0.60940900 0.85824600 1.0 P P19 1 0.88951400 0.89464900 0.14477400 1.0 O O20 1 0.06529900 0.65452100 0.42223300 1.0 O O21 1 0.06581800 0.84018700 0.58060300 1.0 O O22 1 0.06371000 0.91107600 0.14370200 1.0 O O23 1 0.06457000 0.59055000 0.86150000 1.0 O O24 1 0.12827600 0.14257200 0.57034700 1.0 O O25 1 0.13976000 0.35136100 0.43397700 1.0 O O26 1 0.17888300 0.44644200 0.03631600 1.0 O O27 1 0.17688000 0.05530300 0.96582200 1.0 O O28 1 0.14775400 0.22643900 0.16372400 1.0 O O29 1 0.14769700 0.27457400 0.83722900 1.0 O O30 1 0.17342700 0.49512400 0.23381400 1.0 O O31 1 0.18272000 0.00548700 0.76900600 1.0 O O32 1 0.31999400 0.99691100 0.26855300 1.0 O O33 1 0.31152800 0.50459800 0.73115900 1.0 O O34 1 0.35537800 0.77434300 0.66446100 1.0 O O35 1 0.35047600 0.72663900 0.33474200 1.0 O O36 1 0.32913800 0.56007500 0.53231300 1.0 O O37 1 0.32313700 0.93989000 0.46669700 1.0 O O38 1 0.36533800 0.85204500 0.06818900 1.0 O O39 1 0.37106000 0.64476100 0.93021200 1.0 O O40 1 0.43623100 0.09215500 0.64025800 1.0 O O41 1 0.43759800 0.41307100 0.34725000 1.0 O O42 1 0.43313600 0.15626400 0.07926100 1.0 O O43 1 0.43556400 0.34218300 0.91949900 1.0 O O44 1 0.56543400 0.65831000 0.08173200 1.0 O O45 1 0.56744700 0.84318100 0.92161100 1.0 O O46 1 0.56104000 0.58104000 0.65091000 1.0 O O47 1 0.56232900 0.91348200 0.35791500 1.0 O O48 1 0.62869700 0.35500200 0.07182600 1.0 O O49 1 0.63530400 0.14793200 0.93315900 1.0 O O50 1 0.67684200 0.05897300 0.53331400 1.0 O O51 1 0.66702800 0.43717100 0.46870700 1.0 O O52 1 0.64963800 0.22731700 0.33126600 1.0 O O53 1 0.65208100 0.27279800 0.66587400 1.0 O O54 1 0.68926200 0.49867100 0.27145800 1.0 O O55 1 0.67677100 0.00274100 0.73262100 1.0 O O56 1 0.81879400 0.99626400 0.23183300 1.0 O O57 1 0.82708100 0.50789900 0.76418900 1.0 O O58 1 0.85298900 0.72671700 0.16511500 1.0 O O59 1 0.85352300 0.77459200 0.83343900 1.0 O O60 1 0.81900600 0.55612500 0.96401400 1.0 O O61 1 0.82496100 0.94274000 0.03402700 1.0 O O62 1 0.86037300 0.64694800 0.56492200 1.0 O O63 1 0.86923100 0.85751800 0.43166900 1.0 O O64 1 0.93655700 0.08939700 0.85751600 1.0 O O65 1 0.93425000 0.40862400 0.13853900 1.0 O O66 1 0.93771700 0.15585500 0.41823900 1.0 O O67 1 0.93103600 0.34358400 0.57470600 1.0