data_BaTcCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcCl
_chemical_formula_sum   'Ba1 Tc1 Cl1'
_cell_volume   87.81
_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
  Ba  Ba0  1  0.92  0.11  0.09  1.0
  Tc  Tc2  1  0.0  0.22  0.36  1.0
  Cl  Cl1  1  0.0  0.0  0.39  1.0

data_BaTcCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcCl
_chemical_formula_sum   'Ba1 Tc1 Cl1'
_cell_volume   87.81
_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
  Ba  Ba0  1  0.92  0.11  0.09  1.0
  Tc  Tc1  1  0.0  0.22  0.36  1.0
  Cl  Cl2  1  0.0  0.0  0.39  1.0

Ba Tc Cl
Ba Tc Cl 0 2 + o o 0 1 + o o 1 2 o o o 
BaTcCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaTcCl cluster. Ba(1) is bonded in a 2-coordinate geometry to one Tc(1) and one Cl(1) atom. The Ba(1)-Tc(1) bond length is 1.86 Å. The Ba(1)-Cl(1) bond length is 2.14 Å. Tc(1) is bonded in a 1-coordinate geometry to one Ba(1) and one Cl(1) atom. The Tc(1)-Cl(1) bond length is 0.88 Å. Cl(1) is bonded in a single-bond geometry to one Ba(1) and one Tc(1) atom.