# generated using pymatgen data_Na13Zr7Si5P7O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.26050500 _cell_length_b 9.31322931 _cell_length_c 15.98040891 _cell_angle_alpha 106.69360761 _cell_angle_beta 89.96389167 _cell_angle_gamma 119.58725174 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na13Zr7Si5P7O48 _chemical_formula_sum 'Na13 Zr7 Si5 P7 O48' _cell_volume 1131.39153240 _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 0.02126700 0.02209700 0.00419700 1.0 Na Na1 1 0.45090600 0.42606500 0.37744400 1.0 Na Na2 1 0.40744900 0.17765800 0.06883200 1.0 Na Na3 1 0.00774300 0.96687800 0.17259100 1.0 Na Na4 1 0.75680500 0.95925400 0.26586100 1.0 Na Na5 1 0.55286000 0.14415600 0.29722400 1.0 Na Na6 1 0.04591900 0.47125600 0.91620600 1.0 Na Na7 1 0.03343000 0.49378200 0.12797000 1.0 Na Na8 1 0.90109200 0.10746100 0.54308600 1.0 Na Na9 1 0.42704100 0.84275500 0.67560400 1.0 Na Na10 1 0.22170900 0.99830700 0.74766200 1.0 Na Na11 1 0.50374600 0.77504800 0.95746300 1.0 Na Na12 1 0.51246000 0.52889300 0.61971300 1.0 Zr Zr13 1 0.52563700 0.70540100 0.17462400 1.0 Zr Zr14 1 0.71951400 0.28900100 0.57244300 1.0 Zr Zr15 1 0.03543000 0.70474400 0.68183300 1.0 Zr Zr16 1 0.98399300 0.27704200 0.33704400 1.0 Zr Zr17 1 0.27561300 0.71083000 0.42352800 1.0 Zr Zr18 1 0.46318500 0.31607700 0.81382200 1.0 Zr Zr19 1 0.77725600 0.70943000 0.92346400 1.0 Si Si20 1 0.27802300 0.77312300 0.23450400 1.0 Si Si21 1 0.83250300 0.49879900 0.37115700 1.0 Si Si22 1 0.76898600 0.78369500 0.72697900 1.0 Si Si23 1 0.33751000 0.52173100 0.86636200 1.0 Si Si24 1 0.27763000 0.21364700 0.53124200 1.0 P P25 1 0.74378000 0.20233600 0.01790900 1.0 P P26 1 0.72882600 0.79196200 0.47950000 1.0 P P27 1 0.69096100 0.50185800 0.12995500 1.0 P P28 1 0.21818900 0.20038000 0.27270800 1.0 P P29 1 0.22550400 0.81240900 0.96920100 1.0 P P30 1 0.16462800 0.50569600 0.62043000 1.0 P P31 1 0.73032600 0.20400000 0.77319500 1.0 O O32 1 0.36170100 0.40615400 0.25424000 1.0 O O33 1 0.34581500 0.79499600 0.05526900 1.0 O O34 1 0.18954700 0.93492900 0.14259300 1.0 O O35 1 0.66199200 0.63251000 0.14330900 1.0 O O36 1 0.33461100 0.78839300 0.31810800 1.0 O O37 1 0.45565900 0.78486200 0.22634200 1.0 O O38 1 0.74420000 0.36567500 0.45768800 1.0 O O39 1 0.72311100 0.65306100 0.28293000 1.0 O O40 1 0.66619400 0.02421600 0.10505500 1.0 O O41 1 0.71359000 0.58857800 0.50346600 1.0 O O42 1 0.55704100 0.79670700 0.47237100 1.0 O O43 1 0.52538500 0.35011000 0.12511100 1.0 O O44 1 0.02553700 0.63772400 0.38248500 1.0 O O45 1 0.86882300 0.40788600 0.75394200 1.0 O O46 1 0.89586000 0.17159000 0.02363900 1.0 O O47 1 0.78246600 0.40272900 0.00583300 1.0 O O48 1 0.78840400 0.97024000 0.38809700 1.0 O O49 1 0.85393900 0.81242800 0.55562700 1.0 O O50 1 0.81788100 0.37987200 0.20849200 1.0 O O51 1 0.71094400 0.98950000 0.64095200 1.0 O O52 1 0.15261400 0.61917900 0.64790500 1.0 O O53 1 0.77424100 0.65865100 0.04434900 1.0 O O54 1 0.79922000 0.75358800 0.81917400 1.0 O O55 1 0.94421000 0.80843100 0.71496300 1.0 O O56 1 0.07482300 0.15744100 0.30887300 1.0 O O57 1 0.13859900 0.22082900 0.18659600 1.0 O O58 1 0.22695400 0.32621900 0.94140800 1.0 O O59 1 0.83597000 0.33045900 0.36722600 1.0 O O60 1 0.30709800 0.03136100 0.34685900 1.0 O O61 1 0.23023400 0.68913200 0.78487200 1.0 O O62 1 0.15504000 0.21030900 0.44695000 1.0 O O63 1 0.18946000 0.00879400 0.61782700 1.0 O O64 1 0.22534000 0.65380200 0.96635100 1.0 O O65 1 0.04945800 0.78641800 0.97365500 1.0 O O66 1 0.15096000 0.54203900 0.26874700 1.0 O O67 1 0.98758700 0.37423500 0.60465300 1.0 O O68 1 0.52108500 0.64422400 0.90021700 1.0 O O69 1 0.45944800 0.20591600 0.54047600 1.0 O O70 1 0.29685100 0.41622300 0.51769700 1.0 O O71 1 0.28811900 0.02509700 0.88336000 1.0 O O72 1 0.27561400 0.35758300 0.69650800 1.0 O O73 1 0.25177500 0.66398700 0.53840900 1.0 O O74 1 0.56666200 0.18897900 0.78506500 1.0 O O75 1 0.68716900 0.20165500 0.69296700 1.0 O O76 1 0.39172600 0.47872900 0.81637400 1.0 O O77 1 0.79664800 0.02137500 0.85984500 1.0 O O78 1 0.61086100 0.21198900 0.93708600 1.0 O O79 1 0.62353800 0.58852300 0.72805700 1.0