data_NbCoSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   20.6
_cell_angle_beta   20.6
_cell_angle_gamma   20.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoSn2
_chemical_formula_sum   'Nb1 Co1 Sn2'
_cell_volume   73.43
_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  Nb1  1  0.0  0.0  0.89  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.7  1.0
  Sn  Sn3  1  0.0  0.0  0.08  1.0

data_NbCoSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCoSn2
_chemical_formula_sum   'Nb2 Co2 Sn4'
_cell_volume   146.87
_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  0.11  1.0
  Co  Co1  2  -0.0  0.0  0.0  1.0
  Sn  Sn2  2  -0.0  0.0  0.3  1.0
  Sn  Sn3  2  -0.0  0.0  0.92  1.0

Nb Co Sn Sn
NbCoSn2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbCoSn2 clusters. Nb(1) is bonded in a linear geometry to one Co(1) and one Sn(1) atom. The Nb(1)-Co(1) bond length is 0.96 Å. The Nb(1)-Sn(1) bond length is 1.66 Å. Co(1) is bonded in a linear geometry to one Nb(1) and one Sn(2) atom. The Co(1)-Sn(2) bond length is 0.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one Co(1) atom.