data_Na2TaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   6.38
_cell_angle_alpha   95.19
_cell_angle_beta   95.19
_cell_angle_gamma   33.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaSb
_chemical_formula_sum   'Na2 Ta1 Sb1'
_cell_volume   95.47
_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  0.43  0.0  0.32  1.0
  Na  Na1  1  0.96  0.0  0.85  1.0
  Ta  Ta3  1  0.34  0.0  0.86  1.0
  Sb  Sb2  1  0.67  0.0  0.84  1.0

data_Na2TaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.2
_cell_length_c   6.38
_cell_angle_alpha   95.19
_cell_angle_beta   90.0
_cell_angle_gamma   106.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaSb
_chemical_formula_sum   'Na2 Ta1 Sb1'
_cell_volume   95.47
_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  0.04  0.15  1.0
  Na  Na1  1  0.0  0.57  0.68  1.0
  Ta  Ta2  1  0.0  0.66  0.14  1.0
  Sb  Sb3  1  0.0  0.33  0.16  1.0

Na Na Ta Sb
Na2TaSb crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Ta(1), and two equivalent Sb(1) atoms. Both Na(1)-Na(1) bond lengths are 3.02 Å. There is one shorter (2.95 Å) and one longer (3.51 Å) Na(1)-Ta(1) bond length. There is one shorter (3.38 Å) and one longer (3.45 Å) Na(1)-Sb(1) bond length. In the second Na site, Na(2) is bonded in a distorted linear geometry to one Ta(1) and one Sb(1) atom. The Na(2)-Ta(1) bond length is 1.96 Å. The Na(2)-Sb(1) bond length is 1.53 Å. Ta(1) is bonded in a distorted linear geometry to one Na(2), two equivalent Na(1), and one Sb(1) atom. The Ta(1)-Sb(1) bond length is 1.72 Å. Sb(1) is bonded in a linear geometry to one Na(2), two equivalent Na(1), and one Ta(1) atom.