# generated using pymatgen data_Na13Zr7Si5P7O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53738087 _cell_length_b 9.54112863 _cell_length_c 19.05641937 _cell_angle_alpha 57.45369149 _cell_angle_beta 57.49754999 _cell_angle_gamma 57.48610840 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na13Zr7Si5P7O48 _chemical_formula_sum 'Na13 Zr7 Si5 P7 O48' _cell_volume 1155.08180758 _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 Na Na0 1 0.02133200 0.01584800 0.01944200 1.0 Na Na1 1 0.16031100 0.14627000 0.08092100 1.0 Na Na2 1 0.08976500 0.34314500 0.37267300 1.0 Na Na3 1 0.37887200 0.77607100 0.07991000 1.0 Na Na4 1 0.79058800 0.15064200 0.19121200 1.0 Na Na5 1 0.25401400 0.84634000 0.28687100 1.0 Na Na6 1 0.57590300 0.25146900 0.42413800 1.0 Na Na7 1 0.14610700 0.37064800 0.90012900 1.0 Na Na8 1 0.86291200 0.56933300 0.12200300 1.0 Na Na9 1 0.30125500 0.78079500 0.53815700 1.0 Na Na10 1 0.74359200 0.07875300 0.68204900 1.0 Na Na11 1 0.25579400 0.84983100 0.79591900 1.0 Na Na12 1 0.56424800 0.27211500 0.90486300 1.0 Zr Zr13 1 0.36017600 0.35545300 0.17312300 1.0 Zr Zr14 1 0.14764100 0.15744300 0.57390100 1.0 Zr Zr15 1 0.34963500 0.35692000 0.68216400 1.0 Zr Zr16 1 0.64778400 0.64791500 0.33175500 1.0 Zr Zr17 1 0.85489700 0.84580700 0.42925400 1.0 Zr Zr18 1 0.66175200 0.65703600 0.81646200 1.0 Zr Zr19 1 0.85009600 0.85187200 0.92427700 1.0 Si Si20 1 0.04453400 0.73535500 0.24035300 1.0 Si Si21 1 0.47307500 0.03716200 0.37374700 1.0 Si Si22 1 0.74953800 0.46649700 0.01580000 1.0 Si Si23 1 0.04457900 0.75669700 0.72891800 1.0 Si Si24 1 0.45982800 0.03628800 0.87422500 1.0 P P25 1 0.24864900 0.54731800 0.48320700 1.0 P P26 1 0.55512400 0.95247500 0.12572300 1.0 P P27 1 0.95507000 0.24849100 0.27787800 1.0 P P28 1 0.74319300 0.46323500 0.52448600 1.0 P P29 1 0.25399000 0.54755600 0.97693600 1.0 P P30 1 0.53690700 0.97147900 0.62431600 1.0 P P31 1 0.96181400 0.25272700 0.76786800 1.0 O O32 1 0.11941100 0.27352200 0.26175200 1.0 O O33 1 0.26488200 0.50935200 0.06444500 1.0 O O34 1 0.05400600 0.90873900 0.15358700 1.0 O O35 1 0.50672100 0.12898300 0.13216700 1.0 O O36 1 0.02858600 0.75502600 0.32648400 1.0 O O37 1 0.21555400 0.55504800 0.22519300 1.0 O O38 1 0.29856300 0.08986200 0.45958000 1.0 O O39 1 0.44687100 0.19220700 0.28092300 1.0 O O40 1 0.56156800 0.45146600 0.09922200 1.0 O O41 1 0.24505100 0.37113600 0.49984900 1.0 O O42 1 0.07202900 0.70153100 0.47745800 1.0 O O43 1 0.39753100 0.93740500 0.13170900 1.0 O O44 1 0.65288200 0.01729400 0.37633000 1.0 O O45 1 0.12688200 0.28298600 0.74768500 1.0 O O46 1 0.91404100 0.28781300 0.03288000 1.0 O O47 1 0.76984100 0.63957100 0.00768000 1.0 O O48 1 0.40181800 0.58768800 0.39269500 1.0 O O49 1 0.29127200 0.52215100 0.55778400 1.0 O O50 1 0.61498500 0.79062400 0.20614000 1.0 O O51 1 0.07399100 0.93815900 0.64281900 1.0 O O52 1 0.51910700 0.12858400 0.63767100 1.0 O O53 1 0.71742900 0.93700400 0.03789100 1.0 O O54 1 0.02675100 0.76082400 0.81841400 1.0 O O55 1 0.21808500 0.58713300 0.70547600 1.0 O O56 1 0.77992200 0.39775900 0.31024800 1.0 O O57 1 0.95838800 0.26005800 0.19417900 1.0 O O58 1 0.29412700 0.04155200 0.96415900 1.0 O O59 1 0.48686300 0.84798800 0.38408000 1.0 O O60 1 0.94862100 0.06569900 0.35472700 1.0 O O61 1 0.41829700 0.22701200 0.79073700 1.0 O O62 1 0.71599600 0.47301500 0.44901100 1.0 O O63 1 0.59447700 0.41200100 0.61267000 1.0 O O64 1 0.25421300 0.38642100 0.97786800 1.0 O O65 1 0.08039100 0.71264100 0.96743100 1.0 O O66 1 0.86861100 0.69060900 0.27593500 1.0 O O67 1 0.35562300 0.01071300 0.62393800 1.0 O O68 1 0.64145500 0.01341400 0.87982400 1.0 O O69 1 0.92578000 0.31278400 0.52975500 1.0 O O70 1 0.74816000 0.64056400 0.50495800 1.0 O O71 1 0.41534400 0.59621200 0.89371800 1.0 O O72 1 0.57229500 0.79712100 0.70190200 1.0 O O73 1 0.68272300 0.96137400 0.53350700 1.0 O O74 1 0.78864100 0.40484100 0.79203400 1.0 O O75 1 0.98485800 0.23800600 0.68487600 1.0 O O76 1 0.50979500 0.88452200 0.84105700 1.0 O O77 1 0.95450400 0.07451100 0.84722500 1.0 O O78 1 0.73190300 0.52029800 0.92290700 1.0 O O79 1 0.86777100 0.75178400 0.73813900 1.0