data_NaTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcAs2
_chemical_formula_sum   'Na1 Tc1 As2'
_cell_volume   67.08
_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  0.94  0.0  0.0  1.0
  As  As0  1  0.47  0.21  0.59  1.0
  As  As1  1  0.47  0.79  0.59  1.0

data_NaTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   101.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcAs2
_chemical_formula_sum   'Na1 Tc1 As2'
_cell_volume   67.08
_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  0.94  0.0  1.0
  As  As2  1  0.59  0.47  0.21  1.0
  As  As3  1  0.59  0.47  0.79  1.0

Na Tc As As
Na Tc As As 0 1 - o o 2 3 o - o 
NaTcAs2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a single-bond geometry to one Tc(1), two equivalent As(1), and two equivalent As(2) atoms. The Na(1)-Tc(1) bond length is 0.27 Å. There is one shorter (2.56 Å) and one longer (2.91 Å) Na(1)-As(1) bond length. There is one shorter (2.86 Å) and one longer (3.18 Å) Na(1)-As(2) bond length. Tc(1) is bonded in a single-bond geometry to one Na(1) and two equivalent As(2) atoms. There is one shorter (2.56 Å) and one longer (2.91 Å) Tc(1)-As(2) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and two equivalent As(2) atoms. There is one shorter (1.96 Å) and one longer (2.67 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Tc(1), and two equivalent As(1) atoms.