data_KTaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42
_cell_length_b   7.42
_cell_length_c   7.42
_cell_angle_alpha   155.88
_cell_angle_beta   155.88
_cell_angle_gamma   34.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaCl
_chemical_formula_sum   'K1 Ta1 Cl1'
_cell_volume   68.23
_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
  K  K1  1  0.0  0.0  0.92  1.0
  Ta  Ta2  1  0.0  0.0  0.02  1.0
  Cl  Cl0  1  0.0  0.0  0.25  1.0

data_KTaCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   107.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTaCl
_chemical_formula_sum   'K2 Ta2 Cl2'
_cell_volume   136.46
_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
  K  K0  2  0.0  0.0  0.08  1.0
  Ta  Ta1  2  0.0  0.0  0.98  1.0
  Cl  Cl2  2  0.0  0.0  0.75  1.0

K Ta Cl
KTaCl is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KTaCl clusters. K(1) is bonded in a single-bond geometry to one Ta(1) atom. The K(1)-Ta(1) bond length is 0.78 Å. Ta(1) is bonded in a linear geometry to one K(1) and one Cl(1) atom. The Ta(1)-Cl(1) bond length is 1.68 Å. Cl(1) is bonded in a single-bond geometry to one Ta(1) atom.