data_CoTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.36
_cell_angle_alpha   122.14
_cell_angle_beta   122.14
_cell_angle_gamma   86.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTcAs2
_chemical_formula_sum   'Co1 Tc1 As2'
_cell_volume   56.52
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.18  1.0
  As  As0  1  0.0  0.11  0.59  1.0
  As  As1  1  0.11  0.0  0.59  1.0

data_CoTcAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   133.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoTcAs2
_chemical_formula_sum   'Co2 Tc2 As4'
_cell_volume   113.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.32  0.5  0.82  1.0
  As  As2  4  0.46  0.05  0.52  1.0

Co Tc As As
Co Tc As As 0 1 o o o 2 3 o o o 
TcCoAs2 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TcCoAs2 clusters. Tc(1) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent As(1) atoms. The Tc(1)-Co(1) bond length is 0.78 Å. Both Tc(1)-As(1) bond lengths are 1.59 Å. Co(1) is bonded in a distorted single-bond geometry to one Tc(1) atom. As(1) is bonded in a 1-coordinate geometry to one Tc(1) and one As(1) atom. The As(1)-As(1) bond length is 0.65 Å.