data_NaTa5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa5
_chemical_formula_sum   'Na1 Ta5'
_cell_volume   113.1
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.65  0.33  0.44  1.0
  Ta  Ta2  1  0.65  0.56  0.0  1.0
  Ta  Ta3  1  0.65  0.0  0.44  1.0
  Ta  Ta4  1  0.65  0.44  0.0  1.0
  Ta  Ta5  1  0.65  0.67  0.44  1.0

data_NaTa5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.87
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   103.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa5
_chemical_formula_sum   'Na1 Ta5'
_cell_volume   113.1
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.56  0.35  1.0
  Ta  Ta2  1  0.33  0.56  0.68  1.0
  Ta  Ta3  1  0.44  0.0  0.79  1.0
  Ta  Ta4  1  0.56  0.0  0.92  1.0
  Ta  Ta5  1  0.67  0.56  0.03  1.0

Na Ta Ta Ta Ta Ta
Na Ta Ta Ta Ta Ta 0 2 - - o 0 5 - - o 1 4 o o o 1 2 o o o 1 5 o o o 1 3 o o o 2 4 o o o 2 5 o o o 2 5 o o - 3 5 o - o 4 5 o o o 
NaTa5 crystallizes in the triclinic P1 space group. Na(1) is bonded in a distorted single-bond geometry to one Ta(5) and two equivalent Ta(2) atoms. The Na(1)-Ta(5) bond length is 2.41 Å. There is one shorter (1.43 Å) and one longer (2.07 Å) Na(1)-Ta(2) bond length. There are five inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to one Ta(3), one Ta(5), and two equivalent Ta(4) atoms. The Ta(1)-Ta(3) bond length is 2.36 Å. The Ta(1)-Ta(5) bond length is 2.53 Å. There is one shorter (2.28 Å) and one longer (2.86 Å) Ta(1)-Ta(4) bond length. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Ta(4) atom. The Ta(2)-Ta(4) bond length is 0.91 Å. In the third Ta site, Ta(3) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(5) atom. The Ta(3)-Ta(5) bond length is 2.36 Å. In the fourth Ta site, Ta(4) is bonded in a single-bond geometry to one Ta(2) and two equivalent Ta(1) atoms. In the fifth Ta site, Ta(5) is bonded in a 1-coordinate geometry to one Na(1), one Ta(1), and one Ta(3) atom.