data_BaNaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   6.32
_cell_angle_alpha   112.99
_cell_angle_beta   112.99
_cell_angle_gamma   38.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaTc2
_chemical_formula_sum   'Ba1 Na1 Tc2'
_cell_volume   118.51
_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
  Ba  Ba0  1  0.13  0.0  0.88  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.8  0.0  0.57  1.0
  Tc  Tc3  1  0.46  0.0  0.18  1.0

data_BaNaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.76
_cell_length_c   6.32
_cell_angle_alpha   112.99
_cell_angle_beta   90.0
_cell_angle_gamma   109.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaTc2
_chemical_formula_sum   'Ba1 Na1 Tc2'
_cell_volume   118.51
_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
  Ba  Ba0  1  0.0  0.87  0.12  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.2  0.43  1.0
  Tc  Tc3  1  0.0  0.54  0.82  1.0

Ba Na Tc Tc
NaBaTc2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaBaTc2 cluster. Na(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. The Na(1)-Ba(1) bond length is 1.27 Å. Ba(1) is bonded in a T-shaped geometry to one Na(1), one Tc(1), and one Tc(2) atom. The Ba(1)-Tc(1) bond length is 2.12 Å. The Ba(1)-Tc(2) bond length is 2.12 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to one Ba(1) atom.