# generated using pymatgen data_Na2(BiO2)21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.64875582 _cell_length_b 13.64875582 _cell_length_c 7.80431076 _cell_angle_alpha 73.87416404 _cell_angle_beta 73.87416404 _cell_angle_gamma 120.91260388 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2(BiO2)21 _chemical_formula_sum 'Na2 Bi21 O42' _cell_volume 1030.62892273 _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 0.16641000 0.83359000 0.50000000 1.0 Na Na1 1 0.83359000 0.16641000 0.50000000 1.0 Bi Bi2 1 0.00000000 0.00000000 0.50000000 1.0 Bi Bi3 1 0.83312600 0.66731200 0.99777100 1.0 Bi Bi4 1 0.00000000 0.00000000 0.00000000 1.0 Bi Bi5 1 0.66670900 0.33329100 0.50000000 1.0 Bi Bi6 1 0.33268800 0.16687400 0.00222900 1.0 Bi Bi7 1 0.50000000 0.00000000 0.00000000 1.0 Bi Bi8 1 0.66697100 0.33302900 0.00000000 1.0 Bi Bi9 1 0.33329100 0.66670900 0.50000000 1.0 Bi Bi10 1 0.50000000 0.50000000 0.00000000 1.0 Bi Bi11 1 0.33837700 0.17196300 0.50073300 1.0 Bi Bi12 1 0.00000000 0.50000000 0.00000000 1.0 Bi Bi13 1 0.16687400 0.33268800 0.00222900 1.0 Bi Bi14 1 0.33302900 0.66697100 0.00000000 1.0 Bi Bi15 1 0.16689500 0.83310500 0.00000000 1.0 Bi Bi16 1 0.82803700 0.66162300 0.49926700 1.0 Bi Bi17 1 0.66731200 0.83312600 0.99777100 1.0 Bi Bi18 1 0.00000000 0.50000000 0.50000000 1.0 Bi Bi19 1 0.83310500 0.16689500 0.00000000 1.0 Bi Bi20 1 0.50000000 0.00000000 0.50000000 1.0 Bi Bi21 1 0.66162300 0.82803700 0.49926700 1.0 Bi Bi22 1 0.17196300 0.33837700 0.50073300 1.0 O O23 1 0.73534000 0.53099100 0.32415500 1.0 O O24 1 0.64467500 0.64467500 0.64003900 1.0 O O25 1 0.32555100 0.32555100 0.93633000 1.0 O O26 1 0.39018300 0.85979900 0.32858000 1.0 O O27 1 0.19203400 0.05672300 0.32968100 1.0 O O28 1 0.46899400 0.27825400 0.08879700 1.0 O O29 1 0.72174600 0.53100600 0.91120300 1.0 O O30 1 0.57799500 0.24525400 0.34131400 1.0 O O31 1 0.08596900 0.08596900 0.66444700 1.0 O O32 1 0.99525300 0.66225300 0.92153700 1.0 O O33 1 0.35532500 0.35532500 0.35996100 1.0 O O34 1 0.29982100 0.96424900 0.63532400 1.0 O O35 1 0.85979900 0.39018300 0.32858000 1.0 O O36 1 0.05672300 0.19203400 0.32968100 1.0 O O37 1 0.94519500 0.80474500 0.08535400 1.0 O O38 1 0.13478000 0.61215300 0.08842200 1.0 O O39 1 0.19525500 0.05480500 0.91464600 1.0 O O40 1 0.38784700 0.86522000 0.91157800 1.0 O O41 1 0.46900900 0.26466000 0.67584500 1.0 O O42 1 0.24525400 0.57799500 0.34131400 1.0 O O43 1 0.33774700 0.00474700 0.07846300 1.0 O O44 1 0.03575100 0.70017900 0.36467600 1.0 O O45 1 0.75474600 0.42200500 0.65868600 1.0 O O46 1 0.96424900 0.29982100 0.63532400 1.0 O O47 1 0.66225300 0.99525300 0.92153700 1.0 O O48 1 0.61215300 0.13478000 0.08842200 1.0 O O49 1 0.80474500 0.94519500 0.08535400 1.0 O O50 1 0.53099100 0.73534000 0.32415500 1.0 O O51 1 0.86522000 0.38784700 0.91157800 1.0 O O52 1 0.94327700 0.80796600 0.67031900 1.0 O O53 1 0.05480500 0.19525500 0.91464600 1.0 O O54 1 0.14020100 0.60981700 0.67142000 1.0 O O55 1 0.91403100 0.91403100 0.33555300 1.0 O O56 1 0.00474700 0.33774700 0.07846300 1.0 O O57 1 0.70017900 0.03575100 0.36467600 1.0 O O58 1 0.42200500 0.75474600 0.65868600 1.0 O O59 1 0.27825400 0.46899400 0.08879700 1.0 O O60 1 0.53100600 0.72174600 0.91120300 1.0 O O61 1 0.60981700 0.14020100 0.67142000 1.0 O O62 1 0.80796600 0.94327700 0.67031900 1.0 O O63 1 0.67444900 0.67444900 0.06367000 1.0 O O64 1 0.26466000 0.46900900 0.67584500 1.0