# generated using pymatgen data_Na9Zr8Si4(PO6)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.09502700 _cell_length_b 9.35824078 _cell_length_c 15.83456409 _cell_angle_alpha 106.88916504 _cell_angle_beta 89.42091595 _cell_angle_gamma 118.78058660 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na9Zr8Si4(PO6)8 _chemical_formula_sum 'Na9 Zr8 Si4 P8 O48' _cell_volume 1116.68723477 _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 0.23254500 0.48306700 0.62236400 1.0 Na Na1 1 0.17994400 0.96162600 0.77281900 1.0 Na Na2 1 0.32364200 0.11279000 0.56448500 1.0 Na Na3 1 0.72655900 0.49530200 0.12300400 1.0 Na Na4 1 0.23370200 0.45281000 0.87626400 1.0 Na Na5 1 0.57600000 0.97917900 0.51819600 1.0 Na Na6 1 0.63676400 0.01298100 0.24388100 1.0 Na Na7 1 0.84235500 0.09549500 0.06329600 1.0 Na Na8 1 0.78210700 0.51859600 0.37359200 1.0 Zr Zr9 1 0.78499000 0.72462800 0.91779400 1.0 Zr Zr10 1 0.48463600 0.27135200 0.82819700 1.0 Zr Zr11 1 0.27846200 0.71968900 0.41672900 1.0 Zr Zr12 1 0.99283100 0.28603100 0.32691100 1.0 Zr Zr13 1 0.02796000 0.70439000 0.67465800 1.0 Zr Zr14 1 0.73787000 0.27713400 0.58761200 1.0 Zr Zr15 1 0.52229800 0.71132100 0.16893600 1.0 Zr Zr16 1 0.26343500 0.25271100 0.10255500 1.0 Si Si17 1 0.02955000 0.21739800 0.76657200 1.0 Si Si18 1 0.58125600 0.53035500 0.61599700 1.0 Si Si19 1 0.56688600 0.21343200 0.31185200 1.0 Si Si20 1 0.07811100 0.51853100 0.11746200 1.0 P P21 1 0.50530000 0.78034700 0.97812900 1.0 P P22 1 0.00781300 0.21771100 0.52669100 1.0 P P23 1 0.92678900 0.50547000 0.87342600 1.0 P P24 1 0.48058300 0.75115000 0.72779200 1.0 P P25 1 0.01550400 0.79171800 0.47769300 1.0 P P26 1 0.50361900 0.21931200 0.02058300 1.0 P P27 1 0.43452800 0.49925600 0.37713400 1.0 P P28 1 0.98304200 0.73517700 0.23282400 1.0 O O29 1 0.47216900 0.22292200 0.93916500 1.0 O O30 1 0.91661800 0.01619200 0.84275000 1.0 O O31 1 0.74638400 0.39102300 0.84857200 1.0 O O32 1 0.22694900 0.21857600 0.78940300 1.0 O O33 1 0.56149600 0.36469100 0.59890400 1.0 O O34 1 0.46626900 0.67844600 0.53090800 1.0 O O35 1 0.49068900 0.38694400 0.70317600 1.0 O O36 1 0.44647100 0.96911000 0.88634900 1.0 O O37 1 0.15264900 0.40263700 0.52018200 1.0 O O38 1 0.83717400 0.21737300 0.52771700 1.0 O O39 1 0.91015900 0.64926200 0.88130900 1.0 O O40 1 0.67427200 0.24042400 0.68308600 1.0 O O41 1 0.65236800 0.76455000 0.96689600 1.0 O O42 1 0.35505700 0.58701400 0.00578100 1.0 O O43 1 0.06275800 0.02360800 0.61363500 1.0 O O44 1 0.98591600 0.22670400 0.44605300 1.0 O O45 1 0.02858200 0.65085700 0.79284000 1.0 O O46 1 0.40832500 0.00886700 0.34262400 1.0 O O47 1 0.02320800 0.35274600 0.95593100 1.0 O O48 1 0.26063800 0.36591100 0.36100500 1.0 O O49 1 0.73575000 0.21575100 0.30073200 1.0 O O50 1 0.05884700 0.34474400 0.10644000 1.0 O O51 1 0.58022100 0.74686500 0.81279200 1.0 O O52 1 0.30271400 0.78397200 0.70974200 1.0 O O53 1 0.77591600 0.65689200 0.62732000 1.0 O O54 1 0.95947200 0.65824600 0.03102800 1.0 O O55 1 0.56644200 0.96934000 0.63925400 1.0 O O56 1 0.98989200 0.39024100 0.20471500 1.0 O O57 1 0.08123400 0.81375800 0.55418200 1.0 O O58 1 0.96304600 0.98222800 0.38917700 1.0 O O59 1 0.65279700 0.40468500 0.00887000 1.0 O O60 1 0.33805500 0.22542200 0.02073000 1.0 O O61 1 0.03735600 0.42169000 0.74704000 1.0 O O62 1 0.40733500 0.62318200 0.39320800 1.0 O O63 1 0.17867300 0.23044600 0.18934800 1.0 O O64 1 0.16335500 0.77132700 0.46924100 1.0 O O65 1 0.86173000 0.59856300 0.50105300 1.0 O O66 1 0.56102600 0.02698900 0.10745300 1.0 O O67 1 0.96042500 0.23449200 0.67411200 1.0 O O68 1 0.53194900 0.65001000 0.29605100 1.0 O O69 1 0.54193600 0.35290000 0.46090700 1.0 O O70 1 0.06586000 0.71588300 0.32448500 1.0 O O71 1 0.80367500 0.76964100 0.20938200 1.0 O O72 1 0.27257600 0.64727000 0.12993400 1.0 O O73 1 0.08476800 0.94472200 0.15552000 1.0 O O74 1 0.57772200 0.82157000 0.04881400 1.0 O O75 1 0.52545000 0.42923200 0.23714800 1.0 O O76 1 0.47384900 0.21552000 0.17408500 1.0