# generated using pymatgen data_Na3Zr2Si2PO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.38432094 _cell_length_b 9.48149018 _cell_length_c 18.90542303 _cell_angle_alpha 58.12456311 _cell_angle_beta 58.16376062 _cell_angle_gamma 58.27459784 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Zr2Si2PO12 _chemical_formula_sum 'Na12 Zr8 Si8 P4 O48' _cell_volume 1140.05860541 _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 Na Na0 1 0.18684500 0.82215000 0.02660200 1.0 Na Na1 1 0.30322300 0.46342700 0.33516500 1.0 Na Na2 1 0.75323500 0.12412300 0.19469700 1.0 Na Na3 1 0.24370100 0.90859700 0.32148500 1.0 Na Na4 1 0.66854400 0.24844100 0.45148400 1.0 Na Na5 1 0.81348700 0.57960500 0.12957000 1.0 Na Na6 1 0.34359400 0.75197900 0.54424300 1.0 Na Na7 1 0.75395000 0.09808500 0.68307200 1.0 Na Na8 1 0.47329700 0.46800900 0.76995300 1.0 Na Na9 1 0.24474100 0.88730200 0.80354900 1.0 Na Na10 1 0.68242300 0.23601600 0.96589400 1.0 Na Na11 1 0.91464400 0.67101200 0.62491000 1.0 Zr Zr12 1 0.14928800 0.14945000 0.06613600 1.0 Zr Zr13 1 0.35427300 0.36480300 0.17219000 1.0 Zr Zr14 1 0.14334600 0.15119400 0.56914900 1.0 Zr Zr15 1 0.34695200 0.35536700 0.68034500 1.0 Zr Zr16 1 0.64570400 0.65150200 0.32661500 1.0 Zr Zr17 1 0.85544400 0.84431100 0.42281100 1.0 Zr Zr18 1 0.64419600 0.65012600 0.82697100 1.0 Zr Zr19 1 0.85550100 0.84627800 0.92422700 1.0 Si Si20 1 0.04081200 0.75198000 0.23484300 1.0 Si Si21 1 0.46563200 0.03527500 0.37206400 1.0 Si Si22 1 0.75342600 0.45526000 0.02054700 1.0 Si Si23 1 0.24585700 0.54593900 0.48094100 1.0 Si Si24 1 0.04809100 0.74910300 0.73292900 1.0 Si Si25 1 0.46109600 0.02860600 0.87399800 1.0 Si Si26 1 0.74566000 0.45766100 0.52188400 1.0 Si Si27 1 0.25482600 0.54072100 0.97407000 1.0 P P28 1 0.53585300 0.96620800 0.12576200 1.0 P P29 1 0.96063200 0.25192300 0.26378300 1.0 P P30 1 0.53657000 0.96804300 0.62395800 1.0 P P31 1 0.95145800 0.25241300 0.76630300 1.0 O O32 1 0.14407800 0.25249700 0.24149000 1.0 O O33 1 0.30037400 0.50963400 0.05519600 1.0 O O34 1 0.06414900 0.92595100 0.14615500 1.0 O O35 1 0.53372800 0.12541500 0.13107200 1.0 O O36 1 0.20135700 0.57215200 0.21615600 1.0 O O37 1 0.04902400 0.75854700 0.31792900 1.0 O O38 1 0.31786600 0.05581500 0.46763500 1.0 O O39 1 0.42134100 0.21444800 0.28891600 1.0 O O40 1 0.58364500 0.42230600 0.11220500 1.0 O O41 1 0.21581600 0.37299000 0.49881800 1.0 O O42 1 0.06919800 0.72626900 0.47042100 1.0 O O43 1 0.35539900 0.00521400 0.12524500 1.0 O O44 1 0.66365000 0.99775300 0.36472900 1.0 O O45 1 0.12951500 0.26420200 0.74565900 1.0 O O46 1 0.92240500 0.27289900 0.03521700 1.0 O O47 1 0.78995000 0.62349800 0.00346700 1.0 O O48 1 0.41826300 0.56831000 0.38829500 1.0 O O49 1 0.27390200 0.51716600 0.56698000 1.0 O O50 1 0.57370500 0.79471200 0.20594300 1.0 O O51 1 0.07677000 0.91835100 0.64089100 1.0 O O52 1 0.69212000 0.93548100 0.03925300 1.0 O O53 1 0.52968500 0.12667000 0.63256500 1.0 O O54 1 0.22025000 0.57195900 0.71746300 1.0 O O55 1 0.03618000 0.77956600 0.81358700 1.0 O O56 1 0.95829500 0.24194900 0.18516300 1.0 O O57 1 0.80683900 0.42527300 0.27950000 1.0 O O58 1 0.46332400 0.86464900 0.36978500 1.0 O O59 1 0.29959800 0.04819700 0.96651900 1.0 O O60 1 0.92640400 0.09253100 0.35076700 1.0 O O61 1 0.43706100 0.20853500 0.78725300 1.0 O O62 1 0.70519900 0.48386300 0.44030400 1.0 O O63 1 0.57208300 0.43063100 0.61338900 1.0 O O64 1 0.21689300 0.36981600 0.99745200 1.0 O O65 1 0.08281500 0.72735200 0.96470300 1.0 O O66 1 0.84791300 0.74450900 0.26073900 1.0 O O67 1 0.35138900 0.99961600 0.63131100 1.0 O O68 1 0.65350500 0.98107100 0.87586200 1.0 O O69 1 0.91736500 0.27881900 0.53804300 1.0 O O70 1 0.77081200 0.63640200 0.49983400 1.0 O O71 1 0.42604800 0.56463800 0.87926500 1.0 O O72 1 0.58806400 0.79303600 0.69994800 1.0 O O73 1 0.68475500 0.95128500 0.53390600 1.0 O O74 1 0.96722600 0.21784400 0.69115000 1.0 O O75 1 0.79543700 0.42871800 0.77444400 1.0 O O76 1 0.46141700 0.86878600 0.86110800 1.0 O O77 1 0.91566600 0.09883600 0.85639100 1.0 O O78 1 0.71342200 0.49149800 0.93620700 1.0 O O79 1 0.86400300 0.73303100 0.75061900 1.0