data_ZnTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   3.23
_cell_angle_alpha   90.88
_cell_angle_beta   90.88
_cell_angle_gamma   104.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcAs2
_chemical_formula_sum   'Zn1 Tc1 As2'
_cell_volume   63.63
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.78  0.0  0.0  1.0
  As  As0  1  0.35  0.22  0.61  1.0
  As  As1  1  0.35  0.78  0.61  1.0

data_ZnTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   104.02
_cell_angle_beta   90.88
_cell_angle_gamma   90.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTcAs2
_chemical_formula_sum   'Zn1 Tc1 As2'
_cell_volume   63.63
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.78  0.0  1.0
  As  As2  1  0.61  0.35  0.22  1.0
  As  As3  1  0.61  0.35  0.78  1.0

Zn Tc As As
Zn Tc As As 0 1 - o o 0 2 o o - 0 3 o - - 1 3 o - - 2 3 o - o 2 3 o o o 
TcZnAs2 crystallizes in the triclinic P1 space group. Tc(1) is bonded in a distorted single-bond geometry to one Zn(1), two equivalent As(1), and two equivalent As(2) atoms. The Tc(1)-Zn(1) bond length is 1.01 Å. There is one shorter (2.69 Å) and one longer (3.10 Å) Tc(1)-As(1) bond length. There is one shorter (2.29 Å) and one longer (2.81 Å) Tc(1)-As(2) bond length. Zn(1) is bonded in a 1-coordinate geometry to one Tc(1), two equivalent As(1), and two equivalent As(2) atoms. There is one shorter (2.09 Å) and one longer (2.54 Å) Zn(1)-As(1) bond length. There is one shorter (2.41 Å) and one longer (2.84 Å) Zn(1)-As(2) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Tc(1), two equivalent Zn(1), and two equivalent As(2) atoms. There is one shorter (2.01 Å) and one longer (2.50 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Tc(1), two equivalent Zn(1), and two equivalent As(1) atoms.