data_LaTaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   142.73
_cell_angle_beta   142.73
_cell_angle_gamma   53.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaCl2
_chemical_formula_sum   'La1 Ta1 Cl2'
_cell_volume   93.18
_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
  La  La2  1  0.0  0.0  0.66  1.0
  Ta  Ta3  1  0.0  0.03  0.83  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.03  0.0  0.83  1.0

data_LaTaCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   6.35
_cell_angle_alpha   108.63
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaCl2
_chemical_formula_sum   'La1 Ta1 Cl2'
_cell_volume   93.18
_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
  La  La0  1  0.34  0.0  0.34  1.0
  Ta  Ta1  1  0.2  0.03  0.2  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.17  0.0  0.2  1.0

La Ta Cl Cl
La Ta Cl Cl 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o + 2 3 o o - 
LaTaCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaTaCl2 cluster. La(1) is bonded in a 2-coordinate geometry to one Ta(1) and one Cl(2) atom. The La(1)-Ta(1) bond length is 0.93 Å. The La(1)-Cl(2) bond length is 0.93 Å. Ta(1) is bonded in a single-bond geometry to one La(1), one Cl(1), and one Cl(2) atom. The Ta(1)-Cl(1) bond length is 1.22 Å. The Ta(1)-Cl(2) bond length is 0.16 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one La(1) and one Ta(1) atom.