data_NbSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnBi2
_chemical_formula_sum   'Nb1 Sn1 Bi2'
_cell_volume   109.35
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.31  0.31  0.0  1.0
  Bi  Bi0  1  0.31  0.0  0.56  1.0
  Bi  Bi1  1  0.0  0.31  0.56  1.0

data_NbSnBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbSnBi2
_chemical_formula_sum   'Nb2 Sn2 Bi4'
_cell_volume   218.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.31  0.0  -0.0  1.0
  Bi  Bi2  4  0.16  0.16  0.56  1.0

Nb Sn Bi Bi
Nb Sn Bi Bi 0 1 o o o 2 3 o o o 
NbSnBi2 crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a distorted single-bond geometry to one Sn(1) and four equivalent Bi(1) atoms. The Nb(1)-Sn(1) bond length is 2.04 Å. There are two shorter (2.69 Å) and two longer (3.19 Å) Nb(1)-Bi(1) bond lengths. Sn(1) is bonded in a single-bond geometry to one Nb(1) and four equivalent Bi(1) atoms. There are two shorter (2.69 Å) and two longer (3.19 Å) Sn(1)-Bi(1) bond lengths. Bi(1) is bonded in a 7-coordinate geometry to two equivalent Nb(1), two equivalent Sn(1), and three equivalent Bi(1) atoms. There is one shorter (2.04 Å) and two longer (3.49 Å) Bi(1)-Bi(1) bond lengths.