data_TaReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   155.13
_cell_angle_beta   143.11
_cell_angle_gamma   45.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReCl2
_chemical_formula_sum   'Ta1 Re1 Cl2'
_cell_volume   91.27
_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  Ta3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.59  1.0
  Cl  Cl0  1  0.0  0.26  0.53  1.0
  Cl  Cl1  1  0.54  0.0  0.06  1.0

data_TaReCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.51
_cell_length_c   7.13
_cell_angle_alpha   108.44
_cell_angle_beta   102.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReCl2
_chemical_formula_sum   'Ta1 Re1 Cl2'
_cell_volume   91.27
_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  0.0  0.0  1.0
  Re  Re1  1  0.41  0.41  0.41  1.0
  Cl  Cl2  1  0.47  0.73  0.73  1.0
  Cl  Cl3  1  0.48  0.94  0.48  1.0

Ta Re Cl Cl
Ta Re Cl Cl 0 2 o o o 0 2 o - - 1 3 - o o 1 3 o o + 1 2 o o o 2 3 - o o 
TaReCl2 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Cl(1) atoms. The Ta(1)-Re(1) bond length is 2.94 Å. There is one shorter (2.26 Å) and one longer (2.67 Å) Ta(1)-Cl(1) bond length. Re(1) is bonded in a 3-coordinate geometry to one Ta(1), one Cl(1), and two equivalent Cl(2) atoms. The Re(1)-Cl(1) bond length is 2.20 Å. There is one shorter (2.29 Å) and one longer (2.31 Å) Re(1)-Cl(2) bond length. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Re(1) atom. In the second Cl site, Cl(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Re(1) atoms.