# generated using pymatgen data_Na3Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42003886 _cell_length_b 5.42004005 _cell_length_c 9.65336417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001105 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Bi _chemical_formula_sum 'Na6 Bi2' _cell_volume 245.59197374 _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 0.33333300 0.66666700 0.91729282 1.0 Na Na1 1 0.66666700 0.33333300 0.41729282 1.0 Na Na2 1 -0.00000000 0.00000000 0.25000000 1.0 Na Na3 1 0.00000000 0.00000000 0.75000000 1.0 Na Na4 1 0.33333300 0.66666700 0.58270718 1.0 Na Na5 1 0.66666700 0.33333300 0.08270718 1.0 Bi Bi6 1 0.66666700 0.33333300 0.75000000 1.0 Bi Bi7 1 0.33333300 0.66666700 0.25000000 1.0