data_BaCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCl3
_chemical_formula_sum   'Ba2 Cl6'
_cell_volume   219.95
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.29  0.9  0.41  1.0
  Ba  Ba1  1  0.0  0.79  0.47  1.0
  Cl  Cl2  1  0.57  0.7  0.41  1.0
  Cl  Cl3  1  0.43  0.7  0.41  1.0
  Cl  Cl4  1  0.0  0.98  0.41  1.0
  Cl  Cl5  1  0.72  0.99  0.47  1.0
  Cl  Cl6  1  0.85  0.99  0.47  1.0
  Cl  Cl7  1  0.29  0.71  0.47  1.0

data_BaCl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.88
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaCl3
_chemical_formula_sum   'Ba2 Cl6'
_cell_volume   219.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ba  Ba0  2  0.03  0.86  0.45  1.0
  Cl  Cl1  2  0.03  0.14  0.36  1.0
  Cl  Cl2  2  0.03  0.57  0.65  1.0
  Cl  Cl3  2  0.03  0.71  0.65  1.0

Ba Ba Cl Cl Cl Cl Cl Cl
BaCl3 is Hg_xSn structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one BaCl3 cluster. Ba(1) is bonded in a single-bond geometry to one Cl(1) and one Cl(3) atom. The Ba(1)-Cl(1) bond length is 2.61 Å. The Ba(1)-Cl(3) bond length is 1.29 Å. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Ba(1), one Cl(1), and two equivalent Cl(2) atoms. The Cl(1)-Cl(1) bond length is 1.70 Å. There is one shorter (0.90 Å) and one longer (1.93 Å) Cl(1)-Cl(2) bond length. In the second Cl site, Cl(2) is bonded in a distorted bent 150 degrees geometry to one Cl(3) and two equivalent Cl(1) atoms. The Cl(2)-Cl(3) bond length is 1.04 Å. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Ba(1) and one Cl(2) atom.