# generated using pymatgen data_Na3Nb34Al2O64 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 24.38176566 _cell_length_b 24.38176583 _cell_length_c 24.38176614 _cell_angle_alpha 18.72083741 _cell_angle_beta 18.72083619 _cell_angle_gamma 18.72083653 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Nb34Al2O64 _chemical_formula_sum 'Na3 Nb34 Al2 O64' _cell_volume 1304.56837132 _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 0.06279511 0.06279511 0.06279511 1.0 Na Na1 1 0.93720489 0.93720489 0.93720489 1.0 Na Na2 1 0.50000000 0.50000000 0.50000000 1.0 Nb Nb3 1 0.19637488 0.44125176 0.61805688 1.0 Nb Nb4 1 0.87105612 0.02027146 0.56209886 1.0 Nb Nb5 1 0.12894388 0.97972854 0.43790114 1.0 Nb Nb6 1 0.11706314 0.11706314 0.11706314 1.0 Nb Nb7 1 0.57426948 0.74089685 0.33209001 1.0 Nb Nb8 1 0.38194312 0.80362512 0.55874824 1.0 Nb Nb9 1 0.21038693 0.79779067 0.04075854 1.0 Nb Nb10 1 0.79779067 0.04075854 0.21038693 1.0 Nb Nb11 1 0.33209001 0.57426948 0.74089685 1.0 Nb Nb12 1 0.97733500 0.65447074 0.51741725 1.0 Nb Nb13 1 0.65447074 0.51741725 0.97733500 1.0 Nb Nb14 1 0.48258275 0.02266500 0.34552926 1.0 Nb Nb15 1 0.34757957 0.34757957 0.34757957 1.0 Nb Nb16 1 0.42573052 0.25910315 0.66790999 1.0 Nb Nb17 1 0.55874824 0.38194312 0.80362512 1.0 Nb Nb18 1 0.20220933 0.95924146 0.78961307 1.0 Nb Nb19 1 0.78961307 0.20220933 0.95924146 1.0 Nb Nb20 1 0.51741725 0.97733500 0.65447074 1.0 Nb Nb21 1 0.02027146 0.56209886 0.87105612 1.0 Nb Nb22 1 0.25910315 0.66790999 0.42573052 1.0 Nb Nb23 1 0.80362512 0.55874824 0.38194312 1.0 Nb Nb24 1 0.95924146 0.78961307 0.20220933 1.0 Nb Nb25 1 0.61805688 0.19637488 0.44125176 1.0 Nb Nb26 1 0.97972854 0.43790114 0.12894388 1.0 Nb Nb27 1 0.44125176 0.61805688 0.19637488 1.0 Nb Nb28 1 0.56209886 0.87105612 0.02027146 1.0 Nb Nb29 1 0.43790114 0.12894388 0.97972854 1.0 Nb Nb30 1 0.34552926 0.48258275 0.02266500 1.0 Nb Nb31 1 0.65242043 0.65242043 0.65242043 1.0 Nb Nb32 1 0.88293686 0.88293686 0.88293686 1.0 Nb Nb33 1 0.02266500 0.34552926 0.48258275 1.0 Nb Nb34 1 0.04075854 0.21038693 0.79779067 1.0 Nb Nb35 1 0.74089685 0.33209001 0.57426948 1.0 Nb Nb36 1 0.66790999 0.42573052 0.25910315 1.0 Al Al37 1 0.77515755 0.77515755 0.77515755 1.0 Al Al38 1 0.22484245 0.22484245 0.22484245 1.0 O O39 1 0.33460254 0.75708145 0.50304469 1.0 O O40 1 0.57276689 0.26304161 0.16397409 1.0 O O41 1 0.12516618 0.43502366 0.53504298 1.0 O O42 1 0.26168954 0.86511416 0.17541526 1.0 O O43 1 0.95940720 0.37422654 0.06468961 1.0 O O44 1 0.07262257 0.50931713 0.22614562 1.0 O O45 1 0.86511416 0.17541526 0.26168954 1.0 O O46 1 0.23006369 0.34836552 0.92346462 1.0 O O47 1 0.66539746 0.24291855 0.49695531 1.0 O O48 1 0.63339874 0.80154710 0.36258142 1.0 O O49 1 0.00233912 0.83602024 0.26399154 1.0 O O50 1 0.34836552 0.92346462 0.23006369 1.0 O O51 1 0.73695839 0.83602591 0.42723311 1.0 O O52 1 0.83602591 0.42723311 0.73695839 1.0 O O53 1 0.22614562 0.07262257 0.50931713 1.0 O O54 1 0.38835088 0.99102092 0.31645361 1.0 O O55 1 0.93531039 0.04059280 0.62577346 1.0 O O56 1 0.36258142 0.63339874 0.80154710 1.0 O O57 1 0.26399154 0.00233912 0.83602024 1.0 O O58 1 0.63741858 0.36660126 0.19845290 1.0 O O59 1 0.87483382 0.56497634 0.46495702 1.0 O O60 1 0.73600846 0.99766088 0.16397976 1.0 O O61 1 0.49068287 0.77385438 0.92737743 1.0 O O62 1 0.70306235 0.70306235 0.70306235 1.0 O O63 1 0.19845290 0.63741858 0.36660126 1.0 O O64 1 0.92737743 0.49068287 0.77385438 1.0 O O65 1 0.76993631 0.65163448 0.07653538 1.0 O O66 1 0.77385438 0.92737743 0.49068287 1.0 O O67 1 0.16397409 0.57276689 0.26304161 1.0 O O68 1 0.73831046 0.13488584 0.82458474 1.0 O O69 1 0.00897908 0.68354639 0.61164912 1.0 O O70 1 0.75708145 0.50304469 0.33460254 1.0 O O71 1 0.80034922 0.80034922 0.80034922 1.0 O O72 1 0.06468961 0.95940720 0.37422654 1.0 O O73 1 0.31645361 0.38835088 0.99102092 1.0 O O74 1 0.99102092 0.31645361 0.38835088 1.0 O O75 1 0.83602024 0.26399154 0.00233912 1.0 O O76 1 0.68354639 0.61164912 0.00897908 1.0 O O77 1 0.80154710 0.36258142 0.63339874 1.0 O O78 1 0.37422654 0.06468961 0.95940720 1.0 O O79 1 0.56497634 0.46495702 0.87483382 1.0 O O80 1 0.17541526 0.26168954 0.86511416 1.0 O O81 1 0.53504298 0.12516618 0.43502366 1.0 O O82 1 0.92346462 0.23006369 0.34836552 1.0 O O83 1 0.62577346 0.93531039 0.04059280 1.0 O O84 1 0.07653538 0.76993631 0.65163448 1.0 O O85 1 0.61164912 0.00897908 0.68354639 1.0 O O86 1 0.50304469 0.33460254 0.75708145 1.0 O O87 1 0.65163448 0.07653538 0.76993631 1.0 O O88 1 0.29693765 0.29693765 0.29693765 1.0 O O89 1 0.36660126 0.19845290 0.63741858 1.0 O O90 1 0.19965078 0.19965078 0.19965078 1.0 O O91 1 0.42723311 0.73695839 0.83602591 1.0 O O92 1 0.13488584 0.82458474 0.73831046 1.0 O O93 1 0.16397976 0.73600846 0.99766088 1.0 O O94 1 0.26304161 0.16397409 0.57276689 1.0 O O95 1 0.99766088 0.16397976 0.73600846 1.0 O O96 1 0.43502366 0.53504298 0.12516618 1.0 O O97 1 0.50931713 0.22614562 0.07262257 1.0 O O98 1 0.49695531 0.66539746 0.24291855 1.0 O O99 1 0.24291855 0.49695531 0.66539746 1.0 O O100 1 0.82458474 0.73831046 0.13488584 1.0 O O101 1 0.46495702 0.87483382 0.56497634 1.0 O O102 1 0.04059280 0.62577346 0.93531039 1.0