# generated using pymatgen data_Na11Bi5O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.60702600 _cell_length_b 9.60702600 _cell_length_c 9.60702600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na11Bi5O16 _chemical_formula_sum 'Na22 Bi10 O32' _cell_volume 886.67997053 _cell_formula_units_Z 2 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 0.00000000 0.00000000 0.23947100 1.0 Na Na1 1 0.00000000 0.23947100 0.00000000 1.0 Na Na2 1 0.00000000 0.00000000 0.76052900 1.0 Na Na3 1 0.00000000 0.76052900 0.00000000 1.0 Na Na4 1 0.00000000 0.50000000 0.25000000 1.0 Na Na5 1 0.00000000 0.50000000 0.75000000 1.0 Na Na6 1 0.25000000 0.25000000 0.75000000 1.0 Na Na7 1 0.25000000 0.75000000 0.25000000 1.0 Na Na8 1 0.23947100 0.00000000 0.00000000 1.0 Na Na9 1 0.25000000 0.00000000 0.50000000 1.0 Na Na10 1 0.26052900 0.50000000 0.50000000 1.0 Na Na11 1 0.50000000 0.50000000 0.73947100 1.0 Na Na12 1 0.50000000 0.73947100 0.50000000 1.0 Na Na13 1 0.50000000 0.26052900 0.50000000 1.0 Na Na14 1 0.50000000 0.50000000 0.26052900 1.0 Na Na15 1 0.50000000 0.75000000 0.00000000 1.0 Na Na16 1 0.50000000 0.25000000 0.00000000 1.0 Na Na17 1 0.76052900 0.00000000 0.00000000 1.0 Na Na18 1 0.75000000 0.00000000 0.50000000 1.0 Na Na19 1 0.75000000 0.25000000 0.25000000 1.0 Na Na20 1 0.73947100 0.50000000 0.50000000 1.0 Na Na21 1 0.75000000 0.75000000 0.75000000 1.0 Bi Bi22 1 0.00000000 0.25000000 0.50000000 1.0 Bi Bi23 1 0.00000000 0.75000000 0.50000000 1.0 Bi Bi24 1 0.25000000 0.25000000 0.25000000 1.0 Bi Bi25 1 0.25000000 0.75000000 0.75000000 1.0 Bi Bi26 1 0.25000000 0.50000000 0.00000000 1.0 Bi Bi27 1 0.50000000 0.00000000 0.75000000 1.0 Bi Bi28 1 0.50000000 0.00000000 0.25000000 1.0 Bi Bi29 1 0.75000000 0.25000000 0.75000000 1.0 Bi Bi30 1 0.75000000 0.50000000 0.00000000 1.0 Bi Bi31 1 0.75000000 0.75000000 0.25000000 1.0 O O32 1 0.00000000 0.00000000 0.00000000 1.0 O O33 1 0.02190500 0.24822300 0.25959900 1.0 O O34 1 0.00000000 0.00000000 0.50000000 1.0 O O35 1 0.00000000 0.50000000 0.00000000 1.0 O O36 1 0.97809500 0.24822300 0.74040100 1.0 O O37 1 0.00000000 0.50000000 0.50000000 1.0 O O38 1 0.97809500 0.75177700 0.25959900 1.0 O O39 1 0.02190500 0.75177700 0.74040100 1.0 O O40 1 0.25959900 0.02190500 0.24822300 1.0 O O41 1 0.24822300 0.25959900 0.02190500 1.0 O O42 1 0.25959900 0.97809500 0.75177700 1.0 O O43 1 0.24040100 0.25177700 0.47809500 1.0 O O44 1 0.25177700 0.47809500 0.24040100 1.0 O O45 1 0.24822300 0.74040100 0.97809500 1.0 O O46 1 0.25177700 0.52190500 0.75959900 1.0 O O47 1 0.24040100 0.74822300 0.52190500 1.0 O O48 1 0.50000000 0.50000000 0.50000000 1.0 O O49 1 0.47809500 0.75959900 0.74822300 1.0 O O50 1 0.50000000 0.00000000 0.50000000 1.0 O O51 1 0.52190500 0.24040100 0.74822300 1.0 O O52 1 0.50000000 0.50000000 0.00000000 1.0 O O53 1 0.52190500 0.75959900 0.25177700 1.0 O O54 1 0.50000000 0.00000000 0.00000000 1.0 O O55 1 0.47809500 0.24040100 0.25177700 1.0 O O56 1 0.74040100 0.97809500 0.24822300 1.0 O O57 1 0.74040100 0.02190500 0.75177700 1.0 O O58 1 0.75177700 0.25959900 0.97809500 1.0 O O59 1 0.75959900 0.25177700 0.52190500 1.0 O O60 1 0.74822300 0.47809500 0.75959900 1.0 O O61 1 0.74822300 0.52190500 0.24040100 1.0 O O62 1 0.75177700 0.74040100 0.02190500 1.0 O O63 1 0.75959900 0.74822300 0.47809500 1.0