data_TaTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.45
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   41.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcAs2
_chemical_formula_sum   'Ta1 Tc1 As2'
_cell_volume   65.25
_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
  Ta  Ta2  1  0.43  0.0  0.66  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.71  0.0  0.24  1.0
  As  As1  1  0.15  0.0  0.09  1.0

data_TaTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.29
_cell_length_c   5.45
_cell_angle_alpha   101.31
_cell_angle_beta   90.0
_cell_angle_gamma   110.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcAs2
_chemical_formula_sum   'Ta1 Tc1 As2'
_cell_volume   65.25
_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
  Ta  Ta0  1  0.0  0.57  0.34  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.29  0.76  1.0
  As  As3  1  0.0  0.85  0.91  1.0

Ta Tc As As
TaTcAs2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1), three equivalent Tc(1), two equivalent As(2), and three equivalent As(1) atoms. Both Ta(1)-Ta(1) bond lengths are 3.06 Å. There are a spread of Ta(1)-Tc(1) bond distances ranging from 2.75-3.41 Å. There is one shorter (2.80 Å) and one longer (3.12 Å) Ta(1)-As(2) bond length. There are a spread of Ta(1)-As(1) bond distances ranging from 2.80-3.49 Å. Tc(1) is bonded in a single-bond geometry to three equivalent Ta(1), one As(1), and one As(2) atom. The Tc(1)-As(1) bond length is 1.97 Å. The Tc(1)-As(2) bond length is 0.74 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to three equivalent Ta(1), one Tc(1), and one As(2) atom. The As(1)-As(2) bond length is 2.35 Å. In the second As site, As(2) is bonded in a single-bond geometry to two equivalent Ta(1), one Tc(1), and one As(1) atom.