data_NaTaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   147.26
_cell_angle_beta   129.42
_cell_angle_gamma   61.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaTc2
_chemical_formula_sum   'Na1 Ta1 Tc2'
_cell_volume   66.88
_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  0.29  1.0
  Ta  Ta1  1  0.54  0.0  0.53  1.0
  Tc  Tc2  1  0.0  0.0  0.76  1.0
  Tc  Tc3  1  0.0  0.33  0.15  1.0

data_NaTaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.65
_cell_length_c   5.45
_cell_angle_alpha   115.29
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaTc2
_chemical_formula_sum   'Na1 Ta1 Tc2'
_cell_volume   66.88
_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  0.71  0.71  0.71  1.0
  Ta  Ta1  1  0.01  0.47  0.01  1.0
  Tc  Tc2  1  0.24  0.24  0.24  1.0
  Tc  Tc3  1  0.85  0.18  0.18  1.0

Na Ta Tc Tc
Na Ta Tc Tc 0 3 o o o 0 1 o o o 0 2 o o - 0 2 o o o 1 2 + o o 1 3 + o + 2 3 o o + 
NaTaTc2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 3-coordinate geometry to one Ta(1), one Tc(1), and one Tc(2) atom. The Na(1)-Ta(1) bond length is 2.32 Å. The Na(1)-Tc(1) bond length is 2.54 Å. The Na(1)-Tc(2) bond length is 2.46 Å. Ta(1) is bonded in a 3-coordinate geometry to one Na(1), one Tc(1), and one Tc(2) atom. The Ta(1)-Tc(1) bond length is 1.99 Å. The Ta(1)-Tc(2) bond length is 2.07 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 4-coordinate geometry to one Na(1), one Ta(1), and two equivalent Tc(2) atoms. There is one shorter (1.16 Å) and one longer (1.99 Å) Tc(1)-Tc(2) bond length. In the second Tc site, Tc(2) is bonded in a 4-coordinate geometry to one Na(1), one Ta(1), and two equivalent Tc(1) atoms.