data_TcAsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   121.49
_cell_angle_beta   121.49
_cell_angle_gamma   87.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAsBr2
_chemical_formula_sum   'Tc1 As1 Br2'
_cell_volume   82.92
_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
  Tc  Tc3  1  0.0  0.41  0.78  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.41  0.0  0.78  1.0
  Br  Br2  1  0.0  0.0  0.57  1.0

data_TcAsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.93
_cell_angle_alpha   119.25
_cell_angle_beta   119.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAsBr2
_chemical_formula_sum   'Tc1 As1 Br2'
_cell_volume   82.92
_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
  Tc  Tc0  1  0.63  0.41  0.63  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.22  0.0  0.63  1.0
  Br  Br3  1  0.43  0.0  0.43  1.0

Tc As Br Br
TcAsBr2 crystallizes in the triclinic P1 space group. Tc(1) is bonded in a distorted single-bond geometry to one As(1) and one Br(2) atom. The Tc(1)-As(1) bond length is 2.52 Å. The Tc(1)-Br(2) bond length is 1.73 Å. As(1) is bonded in a 4-coordinate geometry to one Tc(1), one Br(1), and two equivalent Br(2) atoms. The As(1)-Br(1) bond length is 2.52 Å. There is one shorter (2.14 Å) and one longer (2.79 Å) As(1)-Br(2) bond length. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to one As(1) and one Br(2) atom. The Br(1)-Br(2) bond length is 1.73 Å. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Tc(1), two equivalent As(1), and one Br(1) atom.