data_Ta2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   139.96
_cell_angle_beta   139.96
_cell_angle_gamma   57.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RuCl
_chemical_formula_sum   'Ta2 Ru1 Cl1'
_cell_volume   64.54
_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  Ta2  1  0.0  0.0  0.72  1.0
  Ta  Ta3  1  0.0  0.85  0.36  1.0
  Ru  Ru1  1  0.85  0.0  0.36  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ta2RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   5.4
_cell_angle_alpha   110.02
_cell_angle_beta   110.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RuCl
_chemical_formula_sum   'Ta2 Ru1 Cl1'
_cell_volume   64.54
_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  Ta0  1  0.28  0.0  0.28  1.0
  Ta  Ta1  1  0.49  0.85  0.49  1.0
  Ru  Ru2  1  0.64  0.0  0.49  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ta Ta Ru Cl
Ta2RuCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2RuCl cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to one Ru(1) and one Cl(1) atom. The Ta(1)-Ru(1) bond length is 1.43 Å. The Ta(1)-Cl(1) bond length is 1.49 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Ru(1) atom. The Ta(2)-Ru(1) bond length is 0.79 Å. Ru(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Ta(2) atom. Cl(1) is bonded in a single-bond geometry to one Ta(1) atom.