data_NaTcAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.41
_cell_angle_alpha   95.02
_cell_angle_beta   95.02
_cell_angle_gamma   33.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcAu2
_chemical_formula_sum   'Na1 Tc1 Au2'
_cell_volume   77.21
_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  Na2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.21  0.0  0.19  1.0
  Au  Au0  1  0.64  0.0  0.82  1.0
  Au  Au1  1  0.77  0.0  0.56  1.0

data_NaTcAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.7
_cell_length_c   6.41
_cell_angle_alpha   95.02
_cell_angle_beta   90.0
_cell_angle_gamma   106.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcAu2
_chemical_formula_sum   'Na1 Tc1 Au2'
_cell_volume   77.21
_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
  Tc  Tc1  1  0.0  0.79  0.81  1.0
  Au  Au2  1  0.0  0.23  0.44  1.0
  Au  Au3  1  0.0  0.36  0.18  1.0

Na Tc Au Au
Na Tc Au Au 0 1 o o o 0 2 - o - 2 3 o o o 
NaTcAu2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a distorted bent 150 degrees geometry to one Tc(1), one Au(1), and one Au(2) atom. The Na(1)-Tc(1) bond length is 1.49 Å. The Na(1)-Au(1) bond length is 1.95 Å. The Na(1)-Au(2) bond length is 2.93 Å. Tc(1) is bonded in a single-bond geometry to one Na(1) and two equivalent Au(2) atoms. There is one shorter (3.25 Å) and one longer (3.40 Å) Tc(1)-Au(2) bond length. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Na(1) and one Au(2) atom. The Au(1)-Au(2) bond length is 1.85 Å. In the second Au site, Au(2) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Tc(1), one Au(1), and two equivalent Au(2) atoms. Both Au(2)-Au(2) bond lengths are 2.69 Å.