# generated using pymatgen data_Na13Zr7Si5P7O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.27763100 _cell_length_b 9.38505425 _cell_length_c 16.06773342 _cell_angle_alpha 106.68049355 _cell_angle_beta 89.97705706 _cell_angle_gamma 119.61637356 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na13Zr7Si5P7O48 _chemical_formula_sum 'Na13 Zr7 Si5 P7 O48' _cell_volume 1148.14700600 _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 0.02785000 0.03248500 0.00986000 1.0 Na Na1 1 0.22739500 0.30289600 0.07578700 1.0 Na Na2 1 0.49852500 0.50444800 0.37122700 1.0 Na Na3 1 0.43631700 0.15365000 0.06938500 1.0 Na Na4 1 0.97120000 0.93299700 0.18162500 1.0 Na Na5 1 0.55199300 0.13179000 0.30225500 1.0 Na Na6 1 0.05832200 0.86515000 0.44061700 1.0 Na Na7 1 0.03588500 0.50217200 0.89883500 1.0 Na Na8 1 0.00932900 0.47254900 0.12543200 1.0 Na Na9 1 0.92927400 0.12423500 0.55788000 1.0 Na Na10 1 0.44282800 0.85979500 0.69407500 1.0 Na Na11 1 0.06231700 0.12521200 0.80934300 1.0 Na Na12 1 0.53274400 0.85677200 0.93631700 1.0 Zr Zr13 1 0.53194500 0.71343000 0.17489200 1.0 Zr Zr14 1 0.71905100 0.29232700 0.57337100 1.0 Zr Zr15 1 0.02949500 0.70461700 0.68100100 1.0 Zr Zr16 1 0.97156400 0.29421500 0.32638100 1.0 Zr Zr17 1 0.28228700 0.70691400 0.42621700 1.0 Zr Zr18 1 0.47277000 0.31005300 0.81575300 1.0 Zr Zr19 1 0.77625200 0.69746600 0.92645900 1.0 Si Si20 1 0.27178100 0.78547500 0.23154700 1.0 Si Si21 1 0.83760600 0.50075000 0.37502400 1.0 Si Si22 1 0.76106000 0.20487700 0.01624300 1.0 Si Si23 1 0.77454500 0.79595100 0.73064600 1.0 Si Si24 1 0.33395400 0.50053200 0.87223000 1.0 P P25 1 0.73023000 0.79107100 0.48080000 1.0 P P26 1 0.67509900 0.50387800 0.12341000 1.0 P P27 1 0.22753800 0.19922400 0.27536200 1.0 P P28 1 0.26762700 0.20849800 0.52147200 1.0 P P29 1 0.22307500 0.79876400 0.97577600 1.0 P P30 1 0.16154200 0.50297300 0.62311100 1.0 P P31 1 0.73057700 0.20591400 0.77154900 1.0 O O32 1 0.37990300 0.39158600 0.25666600 1.0 O O33 1 0.33297700 0.77542200 0.06304100 1.0 O O34 1 0.20111400 0.96638500 0.14195300 1.0 O O35 1 0.64405800 0.63060700 0.13653000 1.0 O O36 1 0.33248000 0.78980300 0.31829900 1.0 O O37 1 0.43191300 0.76987000 0.22352200 1.0 O O38 1 0.74785300 0.36720000 0.46096300 1.0 O O39 1 0.71997500 0.63845700 0.28656900 1.0 O O40 1 0.66501100 0.00929000 0.10251500 1.0 O O41 1 0.71801900 0.59759200 0.49709500 1.0 O O42 1 0.55435800 0.80060500 0.46332100 1.0 O O43 1 0.51446000 0.35645200 0.11255100 1.0 O O44 1 0.02590000 0.64621200 0.38721900 1.0 O O45 1 0.87870800 0.40339200 0.75233300 1.0 O O46 1 0.93601500 0.18711300 0.02958900 1.0 O O47 1 0.78146100 0.41074400 0.00349600 1.0 O O48 1 0.81299100 0.97592600 0.39693700 1.0 O O49 1 0.84396600 0.79709900 0.56028000 1.0 O O50 1 0.79614800 0.37674300 0.20715400 1.0 O O51 1 0.71705500 0.00124300 0.64343500 1.0 O O52 1 0.14374100 0.64310500 0.63330000 1.0 O O53 1 0.77038100 0.66041700 0.04242900 1.0 O O54 1 0.84185800 0.79549400 0.81789700 1.0 O O55 1 0.92938600 0.79985300 0.71093900 1.0 O O56 1 0.08612600 0.18850800 0.30141800 1.0 O O57 1 0.14968800 0.19245900 0.19659700 1.0 O O58 1 0.23652300 0.34221700 0.95356500 1.0 O O59 1 0.85522000 0.33569800 0.37423100 1.0 O O60 1 0.29548600 0.01299700 0.35936700 1.0 O O61 1 0.22531400 0.65930400 0.78165700 1.0 O O62 1 0.16748000 0.20255100 0.44132600 1.0 O O63 1 0.18804100 0.01553100 0.60438900 1.0 O O64 1 0.20173400 0.62364400 0.97909600 1.0 O O65 1 0.05128600 0.81013100 0.96820900 1.0 O O66 1 0.12510300 0.56646100 0.26154600 1.0 O O67 1 0.98030600 0.36899100 0.61047500 1.0 O O68 1 0.52318400 0.65020900 0.88648200 1.0 O O69 1 0.45012800 0.21474600 0.53681700 1.0 O O70 1 0.26763600 0.39630300 0.50443200 1.0 O O71 1 0.30332000 0.99963600 0.89310100 1.0 O O72 1 0.26046800 0.35608600 0.70523700 1.0 O O73 1 0.23935700 0.64033800 0.53965900 1.0 O O74 1 0.57743900 0.19351100 0.78766000 1.0 O O75 1 0.68061700 0.20014500 0.69195000 1.0 O O76 1 0.35735000 0.38516200 0.84613400 1.0 O O77 1 0.80019300 0.02480600 0.85624600 1.0 O O78 1 0.63905700 0.21797900 0.92789300 1.0 O O79 1 0.61022000 0.60447500 0.74399600 1.0