data_NbCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   4.0
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuSb2
_chemical_formula_sum   'Nb1 Cu1 Sb2'
_cell_volume   80.44
_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  0.21  0.0  0.18  1.0
  Cu  Cu0  1  0.27  0.0  0.33  1.0
  Sb  Sb2  1  0.34  0.0  0.09  1.0
  Sb  Sb3  1  0.1  0.0  0.92  1.0

data_NbCuSb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.72
_cell_length_b   4.0
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbCuSb2
_chemical_formula_sum   'Nb1 Cu1 Sb2'
_cell_volume   80.44
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Nb0  1  0.21  0.0  0.18  1.0
  Cu  Cu1  1  0.27  0.0  0.33  1.0
  Sb  Sb2  1  0.1  0.0  0.92  1.0
  Sb  Sb3  1  0.34  0.0  0.09  1.0

Nb Cu Sb Sb
NbCuSb2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one NbCuSb2 cluster. Nb(1) is bonded in a 2-coordinate geometry to one Cu(1), one Sb(1), and one Sb(2) atom. The Nb(1)-Cu(1) bond length is 0.83 Å. The Nb(1)-Sb(1) bond length is 0.83 Å. The Nb(1)-Sb(2) bond length is 1.42 Å. Cu(1) is bonded in a single-bond geometry to one Nb(1) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Nb(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 1.10 Å. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one Nb(1) and one Sb(1) atom.