# generated using pymatgen data_Na3Zr2Si2PO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15343900 _cell_length_b 9.16035265 _cell_length_c 16.33152915 _cell_angle_alpha 106.21232837 _cell_angle_beta 89.08067568 _cell_angle_gamma 119.88947017 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Zr2Si2PO12 _chemical_formula_sum 'Na12 Zr8 Si8 P4 O48' _cell_volume 1127.49347841 _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 0.46108600 0.54141000 0.19153100 1.0 Na Na1 1 0.16731900 0.76218700 0.46267700 1.0 Na Na2 1 0.18567300 0.49111200 0.26502900 1.0 Na Na3 1 0.87369600 0.34887200 0.12652800 1.0 Na Na4 1 0.91543800 0.51332300 0.71454100 1.0 Na Na5 1 0.63287800 0.63870500 0.37885800 1.0 Na Na6 1 0.66797500 0.75936000 0.96383300 1.0 Na Na7 1 0.33068200 0.24346500 0.03581100 1.0 Na Na8 1 0.37667300 0.35194500 0.62657900 1.0 Na Na9 1 0.12803100 0.63730600 0.87751000 1.0 Na Na10 1 0.83090900 0.24228200 0.53492900 1.0 Na Na11 1 0.57957700 0.47771600 0.78666600 1.0 Zr Zr12 1 0.91986300 0.78789500 0.28107600 1.0 Zr Zr13 1 0.18233600 0.79820600 0.02889100 1.0 Zr Zr14 1 0.41798000 0.79284500 0.77959900 1.0 Zr Zr15 1 0.32667700 0.20746900 0.47013100 1.0 Zr Zr16 1 0.68286700 0.80071900 0.52796200 1.0 Zr Zr17 1 0.57721700 0.20526400 0.22191800 1.0 Zr Zr18 1 0.82928400 0.20530000 0.97149000 1.0 Zr Zr19 1 0.07403600 0.21118100 0.71990200 1.0 Si Si20 1 0.16083700 0.29015700 0.12004200 1.0 Si Si21 1 0.62185500 0.29377700 0.37515200 1.0 Si Si22 1 0.91447200 0.01979500 0.36644700 1.0 Si Si23 1 0.58866600 0.98378400 0.13210300 1.0 Si Si24 1 0.65967500 0.29149300 0.61754600 1.0 Si Si25 1 0.12586200 0.29368700 0.87555500 1.0 Si Si26 1 0.41323400 0.01841600 0.86762400 1.0 Si Si27 1 0.08901000 0.98640200 0.63119900 1.0 P P28 1 0.87767900 0.70429400 0.12692100 1.0 P P29 1 0.33683900 0.70855500 0.38073400 1.0 P P30 1 0.37501600 0.70657000 0.62490500 1.0 P P31 1 0.83898300 0.71045800 0.88130000 1.0 O O32 1 0.84227200 0.90600400 0.04260400 1.0 O O33 1 0.58996200 0.29629300 0.29097700 1.0 O O34 1 0.35347800 0.28036800 0.14461600 1.0 O O35 1 0.07521300 0.31556200 0.02709100 1.0 O O36 1 0.33931500 0.90771000 0.54272100 1.0 O O37 1 0.17618200 0.48568000 0.11463300 1.0 O O38 1 0.03851700 0.08760500 0.19294800 1.0 O O39 1 0.79045600 0.48139000 0.37597900 1.0 O O40 1 0.08440200 0.30335000 0.78849000 1.0 O O41 1 0.93266100 0.85779400 0.36115700 1.0 O O42 1 0.10441600 0.14547700 0.39252600 1.0 O O43 1 0.85010500 0.27473900 0.64390400 1.0 O O44 1 0.70879000 0.12615000 0.05752400 1.0 O O45 1 0.03255400 0.68187700 0.12477700 1.0 O O46 1 0.67515200 0.81428600 0.22287200 1.0 O O47 1 0.82259500 0.17868300 0.27406900 1.0 O O48 1 0.45445700 0.32542500 0.37097200 1.0 O O49 1 0.79163000 0.87326000 0.44083100 1.0 O O50 1 0.57465100 0.31260900 0.52564700 1.0 O O51 1 0.39909700 0.84846000 0.10903700 1.0 O O52 1 0.56851100 0.14182500 0.13844700 1.0 O O53 1 0.67331200 0.48765800 0.61039000 1.0 O O54 1 0.53915000 0.08862300 0.69197600 1.0 O O55 1 0.71555900 0.52795700 0.12557200 1.0 O O56 1 0.29488800 0.48234600 0.87513200 1.0 O O57 1 0.45281700 0.89757600 0.31042900 1.0 O O58 1 0.31973700 0.52289300 0.38621400 1.0 O O59 1 0.43351600 0.86018800 0.86081200 1.0 O O60 1 0.60112900 0.14299600 0.89587000 1.0 O O61 1 0.41928800 0.68504700 0.46796500 1.0 O O62 1 0.21159800 0.13109100 0.55733600 1.0 O O63 1 0.52962100 0.68329500 0.62338400 1.0 O O64 1 0.17452900 0.81624100 0.72308500 1.0 O O65 1 0.32538100 0.18529600 0.77633200 1.0 O O66 1 0.96029500 0.31976900 0.87574200 1.0 O O67 1 0.28911200 0.86746400 0.94190300 1.0 O O68 1 0.16117900 0.73014200 0.35600400 1.0 O O69 1 0.90044300 0.85624200 0.60588200 1.0 O O70 1 0.07086400 0.14244300 0.63967200 1.0 O O71 1 0.91179900 0.69734600 0.20708800 1.0 O O72 1 0.21374700 0.52920100 0.62432100 1.0 O O73 1 0.95536500 0.89856000 0.81156400 1.0 O O74 1 0.82053500 0.52133900 0.88869500 1.0 O O75 1 0.65476400 0.07877000 0.46314500 1.0 O O76 1 0.91848700 0.68795500 0.96847000 1.0 O O77 1 0.66029100 0.72841700 0.85509300 1.0 O O78 1 0.41222600 0.69419600 0.70766300 1.0 O O79 1 0.16287500 0.08065200 0.96280400 1.0