# generated using pymatgen data_Na3Zr2Si2PO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24564200 _cell_length_b 9.36501511 _cell_length_c 15.98929480 _cell_angle_alpha 106.34510611 _cell_angle_beta 89.97256920 _cell_angle_gamma 119.31474742 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Zr2Si2PO12 _chemical_formula_sum 'Na12 Zr8 Si8 P4 O48' _cell_volume 1142.66262913 _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 0.15038000 0.97925900 0.97740400 1.0 Na Na1 1 0.20235500 0.23146400 0.66562500 1.0 Na Na2 1 0.68686300 0.12205300 0.81364200 1.0 Na Na3 1 0.78873700 0.85376700 0.68440000 1.0 Na Na4 1 0.31076600 0.11014700 0.55856600 1.0 Na Na5 1 0.26325600 0.52815800 0.87467700 1.0 Na Na6 1 0.69781300 0.89248600 0.44653400 1.0 Na Na7 1 0.21244000 0.13834700 0.31799700 1.0 Na Na8 1 0.74886600 0.03992300 0.23692100 1.0 Na Na9 1 0.30462300 0.87006900 0.19137100 1.0 Na Na10 1 0.80609200 0.12294500 0.05189400 1.0 Na Na11 1 0.73045000 0.45994400 0.37640900 1.0 Zr Zr12 1 0.78479700 0.70184600 0.93406500 1.0 Zr Zr13 1 0.46092200 0.28115600 0.82617800 1.0 Zr Zr14 1 0.28301300 0.70630300 0.43331100 1.0 Zr Zr15 1 0.96194300 0.29706800 0.31882800 1.0 Zr Zr16 1 0.02722400 0.70544600 0.67355300 1.0 Zr Zr17 1 0.72880900 0.29832400 0.57508500 1.0 Zr Zr18 1 0.52488900 0.70159400 0.17282800 1.0 Zr Zr19 1 0.22748600 0.30203900 0.07257500 1.0 Si Si20 1 0.01869800 0.20951900 0.76863600 1.0 Si Si21 1 0.58805500 0.49681000 0.62721700 1.0 Si Si22 1 0.52156500 0.79172500 0.97847600 1.0 Si Si23 1 0.97810300 0.20604200 0.51952000 1.0 Si Si24 1 0.52053000 0.20691200 0.26746200 1.0 Si Si25 1 0.08589400 0.49663800 0.12603900 1.0 Si Si26 1 0.01576000 0.79668300 0.47704400 1.0 Si Si27 1 0.48374700 0.20317700 0.02479700 1.0 P P28 1 0.90961800 0.50080100 0.87293800 1.0 P P29 1 0.48688700 0.78988200 0.73392700 1.0 P P30 1 0.41380300 0.50579700 0.37311400 1.0 P P31 1 0.97999800 0.79391800 0.23286800 1.0 O O32 1 0.49325500 0.60157000 0.75325300 1.0 O O33 1 0.42376700 0.19548600 0.94065500 1.0 O O34 1 0.93277400 0.01117700 0.85687600 1.0 O O35 1 0.73794800 0.35408700 0.86338000 1.0 O O36 1 0.20931500 0.21689500 0.78194700 1.0 O O37 1 0.91511800 0.20863100 0.68170500 1.0 O O38 1 0.47963900 0.64456400 0.53481300 1.0 O O39 1 0.49519000 0.35320300 0.71210600 1.0 O O40 1 0.46725900 0.99648900 0.89006300 1.0 O O41 1 0.14093600 0.40471100 0.50425700 1.0 O O42 1 0.81489200 0.21108200 0.53004300 1.0 O O43 1 0.88211400 0.63955600 0.87956600 1.0 O O44 1 0.61089000 0.34392600 0.62088800 1.0 O O45 1 0.96937300 0.59906400 0.25056700 1.0 O O46 1 0.68288600 0.79978100 0.96210500 1.0 O O47 1 0.36444200 0.59012000 0.99225900 1.0 O O48 1 0.04475400 0.01185500 0.61353000 1.0 O O49 1 0.92150500 0.20274500 0.43460600 1.0 O O50 1 0.99962000 0.63825400 0.79242100 1.0 O O51 1 0.43269100 0.00749000 0.35539800 1.0 O O52 1 0.02168100 0.36409900 0.95686500 1.0 O O53 1 0.23831000 0.37515900 0.35498600 1.0 O O54 1 0.70532900 0.19371100 0.28404500 1.0 O O55 1 0.40597800 0.20626100 0.18194400 1.0 O O56 1 0.58650900 0.79851400 0.81334700 1.0 O O57 1 0.30338100 0.78330700 0.71898500 1.0 O O58 1 0.77231000 0.65068800 0.63690400 1.0 O O59 1 0.97926900 0.65153600 0.03806100 1.0 O O60 1 0.56116000 0.98088700 0.64748100 1.0 O O61 1 0.00059500 0.33920000 0.21500700 1.0 O O62 1 0.07523700 0.80947700 0.55979400 1.0 O O63 1 0.95259300 0.99613100 0.38647700 1.0 O O64 1 0.63984600 0.40667300 0.00338400 1.0 O O65 1 0.30973500 0.18947100 0.03583200 1.0 O O66 1 0.02337200 0.41032500 0.75150200 1.0 O O67 1 0.39160900 0.64803100 0.37970700 1.0 O O68 1 0.10735400 0.35423100 0.11353200 1.0 O O69 1 0.17456700 0.80247500 0.45940700 1.0 O O70 1 0.85438500 0.59605000 0.49451400 1.0 O O71 1 0.55211200 0.00725200 0.11754500 1.0 O O72 1 0.51293900 0.64522300 0.29495900 1.0 O O73 1 0.51401500 0.35771000 0.45862700 1.0 O O74 1 0.08955500 0.79569500 0.31305000 1.0 O O75 1 0.80143800 0.79343800 0.22215200 1.0 O O76 1 0.27155600 0.64262000 0.14197900 1.0 O O77 1 0.05348900 0.97959800 0.14640700 1.0 O O78 1 0.57658600 0.79243900 0.06473700 1.0 O O79 1 0.53564400 0.40706800 0.25533200 1.0