data_CuTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc2Cl
_chemical_formula_sum   'Cu1 Tc2 Cl1'
_cell_volume   62.5
_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
  Cu  Cu1  1  0.0  0.0  0.16  1.0
  Tc  Tc2  1  0.57  0.57  0.37  1.0
  Tc  Tc3  1  0.57  0.57  0.95  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CuTc2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuTc2Cl
_chemical_formula_sum   'Cu2 Tc4 Cl2'
_cell_volume   125.0
_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
  Cu  Cu0  2  0.0  0.0  0.16  1.0
  Tc  Tc1  2  0.07  0.5  0.37  1.0
  Tc  Tc2  2  0.07  0.5  0.95  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Cu Tc Tc Cl
Cu Tc Tc Cl 0 3 o o o 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 2 - - - 1 3 + + o 1 2 o o - 2 3 o o + 2 3 o + + 2 3 + o + 2 3 + + + 
Tc2CuCl crystallizes in the monoclinic Cm space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 10-coordinate geometry to two equivalent Tc(2), four equivalent Tc(1), and four equivalent Cu(1) atoms. There is one shorter (2.63 Å) and one longer (3.69 Å) Tc(1)-Tc(2) bond length. All Tc(1)-Tc(1) bond lengths are 3.15 Å. There are a spread of Tc(1)-Cu(1) bond distances ranging from 2.31-2.87 Å. In the second Tc site, Tc(2) is bonded in a 4-coordinate geometry to two equivalent Tc(1) and four equivalent Cl(1) atoms. There are a spread of Tc(2)-Cl(1) bond distances ranging from 1.93-2.57 Å. In the third Tc site, Tc(1) is bonded in a 10-coordinate geometry to two equivalent Tc(2), four equivalent Tc(1), and four equivalent Cu(1) atoms. There is one shorter (2.63 Å) and one longer (3.69 Å) Tc(1)-Tc(2) bond length. There are a spread of Tc(1)-Cu(1) bond distances ranging from 2.31-2.87 Å. Cu(1) is bonded in a single-bond geometry to four Tc(1,1) and one Cl(1) atom. The Cu(1)-Cl(1) bond length is 1.01 Å. Cl(1) is bonded in a distorted single-bond geometry to four equivalent Tc(2) and one Cu(1) atom.