data_Na2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.8
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SiBi
_chemical_formula_sum   'Na2 Si1 Bi1'
_cell_volume   97.28
_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  Na1  1  0.62  0.4  0.78  1.0
  Na  Na2  1  0.52  0.4  0.45  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.95  0.0  0.12  1.0

data_Na2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.8
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SiBi
_chemical_formula_sum   'Na2 Si1 Bi1'
_cell_volume   97.28
_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  0.52  0.4  0.45  1.0
  Na  Na1  1  0.62  0.4  0.78  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.95  0.0  0.12  1.0

Na Na Si Bi
Na2SiBi crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one Na(2) and three equivalent Si(1) atoms. The Na(1)-Na(2) bond length is 2.09 Å. There are a spread of Na(1)-Si(1) bond distances ranging from 2.65-3.39 Å. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Bi(1) atoms. There is one shorter (3.18 Å) and one longer (3.38 Å) Na(2)-Bi(1) bond length. Si(1) is bonded in a distorted single-bond geometry to three equivalent Na(1) and one Bi(1) atom. The Si(1)-Bi(1) bond length is 0.76 Å. Bi(1) is bonded in a single-bond geometry to two equivalent Na(2) and one Si(1) atom.