data_TaMnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnCl2
_chemical_formula_sum   'Ta1 Mn1 Cl2'
_cell_volume   64.48
_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  0.15  0.15  0.0  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.15  0.0  0.74  1.0
  Cl  Cl1  1  0.0  0.15  0.74  1.0

data_TaMnCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaMnCl2
_chemical_formula_sum   'Ta2 Mn2 Cl4'
_cell_volume   128.96
_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
  Ta  Ta0  2  0.15  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  4  0.08  0.08  0.74  1.0

Ta Mn Cl Cl
Ta Mn Cl Cl 0 1 o o o 0 3 o o - 0 2 o o - 1 3 o o - 1 2 o o - 2 3 o o o 
TaMnCl2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TaMnCl2 clusters. Ta(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Cl(1) atoms. The Ta(1)-Mn(1) bond length is 0.94 Å. Both Ta(1)-Cl(1) bond lengths are 1.13 Å. Mn(1) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Cl(1) atoms. Both Mn(1)-Cl(1) bond lengths are 1.13 Å. Cl(1) is bonded in a 3-coordinate geometry to one Ta(1), one Mn(1), and one Cl(1) atom. The Cl(1)-Cl(1) bond length is 0.94 Å.