data_NaTaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.19
_cell_angle_alpha   92.15
_cell_angle_beta   92.15
_cell_angle_gamma   31.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaSb2
_chemical_formula_sum   'Na1 Ta1 Sb2'
_cell_volume   90.58
_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  0.63  0.0  0.17  1.0
  Ta  Ta3  1  0.48  0.0  0.35  1.0
  Sb  Sb1  1  0.94  0.0  0.85  1.0
  Sb  Sb2  1  0.44  0.0  0.61  1.0

data_NaTaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.19
_cell_length_c   5.81
_cell_angle_alpha   92.15
_cell_angle_beta   105.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaSb2
_chemical_formula_sum   'Na1 Ta1 Sb2'
_cell_volume   90.58
_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  0.0  0.17  0.63  1.0
  Ta  Ta1  1  0.0  0.35  0.48  1.0
  Sb  Sb2  1  0.0  0.61  0.44  1.0
  Sb  Sb3  1  0.0  0.85  0.94  1.0

Na Ta Sb Sb
NaTaSb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaTaSb2 cluster. Na(1) is bonded in a 1-coordinate geometry to one Ta(1) and one Sb(1) atom. The Na(1)-Ta(1) bond length is 1.30 Å. The Na(1)-Sb(1) bond length is 2.51 Å. Ta(1) is bonded in a bent 150 degrees geometry to one Na(1) and one Sb(2) atom. The Ta(1)-Sb(2) bond length is 1.36 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Na(1) atom. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Ta(1) atom.