# generated using pymatgen data_Na3Zr2Si2PO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15085400 _cell_length_b 9.31796998 _cell_length_c 15.89333620 _cell_angle_alpha 105.97565883 _cell_angle_beta 90.18767042 _cell_angle_gamma 118.59040312 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Zr2Si2PO12 _chemical_formula_sum 'Na12 Zr8 Si8 P4 O48' _cell_volume 1129.25907678 _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 0.20860400 0.76513400 0.15650400 1.0 Na Na1 1 0.36132700 0.51957800 0.01939100 1.0 Na Na2 1 0.80044500 0.35599700 0.19309800 1.0 Na Na3 1 0.69837200 0.64391100 0.30396100 1.0 Na Na4 1 0.83725400 0.53102100 0.52678900 1.0 Na Na5 1 0.70884900 0.76963900 0.65588200 1.0 Na Na6 1 0.29096900 0.22402500 0.34650200 1.0 Na Na7 1 0.16429700 0.47190700 0.47349900 1.0 Na Na8 1 0.30454700 0.35783000 0.69596000 1.0 Na Na9 1 0.19386900 0.64064300 0.80052900 1.0 Na Na10 1 0.79243200 0.21082100 0.84945500 1.0 Na Na11 1 0.69012400 0.44138800 0.96044700 1.0 Zr Zr12 1 0.47675100 0.79822000 0.32296700 1.0 Zr Zr13 1 0.72241200 0.78762300 0.07751500 1.0 Zr Zr14 1 0.77981600 0.21113600 0.42335500 1.0 Zr Zr15 1 0.02792800 0.20393300 0.17710000 1.0 Zr Zr16 1 0.98037800 0.80176200 0.82191600 1.0 Zr Zr17 1 0.22405100 0.79174300 0.57628200 1.0 Zr Zr18 1 0.27795200 0.20771800 0.92356500 1.0 Zr Zr19 1 0.52503200 0.20165800 0.67755200 1.0 Si Si20 1 0.48480700 0.29261900 0.23602700 1.0 Si Si21 1 0.59536000 0.01368100 0.12389900 1.0 Si Si22 1 0.90597300 0.98573400 0.37586500 1.0 Si Si23 1 0.98436500 0.29326600 0.73480500 1.0 Si Si24 1 0.01772100 0.70803000 0.26446900 1.0 Si Si25 1 0.09607900 0.01579800 0.62382500 1.0 Si Si26 1 0.40659800 0.98313400 0.87612200 1.0 Si Si27 1 0.51868700 0.70844800 0.76458900 1.0 P P28 1 0.52276300 0.29347500 0.47881300 1.0 P P29 1 0.97761800 0.70823400 0.02072900 1.0 P P30 1 0.02282900 0.29355600 0.97967000 1.0 P P31 1 0.48030500 0.70837200 0.52121000 1.0 O O32 1 0.11205600 0.90949600 0.00300800 1.0 O O33 1 0.07113100 0.30970000 0.05547300 1.0 O O34 1 0.28608700 0.27374100 0.21760900 1.0 O O35 1 0.57913200 0.31567000 0.31667200 1.0 O O36 1 0.61250700 0.91088800 0.50240600 1.0 O O37 1 0.56704800 0.48702900 0.14429300 1.0 O O38 1 0.50954500 0.09188100 0.26370300 1.0 O O39 1 0.45132800 0.47057800 0.38942300 1.0 O O40 1 0.50271200 0.85792000 0.21154500 1.0 O O41 1 0.56012600 0.30635300 0.55453200 1.0 O O42 1 0.46492700 0.13345100 0.03430000 1.0 O O43 1 0.85268100 0.12797000 0.37760900 1.0 O O44 1 0.78503300 0.27528200 0.71406800 1.0 O O45 1 0.80998700 0.69193000 0.02978500 1.0 O O46 1 0.73775100 0.81138600 0.37164900 1.0 O O47 1 0.76643600 0.18746900 0.12660400 1.0 O O48 1 0.69275300 0.31400500 0.46956300 1.0 O O49 1 0.64568000 0.86669600 0.12378000 1.0 O O50 1 0.07498100 0.31103200 0.81693400 1.0 O O51 1 0.03923700 0.86810300 0.46423400 1.0 O O52 1 0.99769800 0.14545600 0.28747300 1.0 O O53 1 0.06916100 0.49133300 0.64424300 1.0 O O54 1 0.04680200 0.52909800 0.11034600 1.0 O O55 1 0.01195900 0.09506300 0.76154800 1.0 O O56 1 0.99313500 0.90943600 0.23616000 1.0 O O57 1 0.94520100 0.46780200 0.89225400 1.0 O O58 1 0.93445400 0.51235200 0.35581900 1.0 O O59 1 0.89026400 0.08978100 0.00038900 1.0 O O60 1 0.00114100 0.85407800 0.71144400 1.0 O O61 1 0.96510700 0.13568700 0.53503300 1.0 O O62 1 0.92458700 0.68516800 0.18374500 1.0 O O63 1 0.35081600 0.12296200 0.87828000 1.0 O O64 1 0.31042400 0.68776700 0.53074300 1.0 O O65 1 0.23951300 0.81075900 0.86961600 1.0 O O66 1 0.26406700 0.18828200 0.62955500 1.0 O O67 1 0.18867500 0.31618700 0.96575600 1.0 O O68 1 0.21683100 0.72373100 0.28547200 1.0 O O69 1 0.15074000 0.87308200 0.62289400 1.0 O O70 1 0.54033500 0.86599200 0.96395200 1.0 O O71 1 0.44132600 0.69460200 0.44557300 1.0 O O72 1 0.50074200 0.14655300 0.78816800 1.0 O O73 1 0.55145300 0.53085900 0.61049900 1.0 O O74 1 0.49233500 0.90715800 0.73778000 1.0 O O75 1 0.43295500 0.50766600 0.85465000 1.0 O O76 1 0.39050300 0.09104600 0.49743000 1.0 O O77 1 0.42821100 0.69122100 0.68214400 1.0 O O78 1 0.71797800 0.72116500 0.78764900 1.0 O O79 1 0.94263400 0.69760400 0.94460500 1.0