data_Ta2ZnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   4.58
_cell_angle_alpha   111.82
_cell_angle_beta   111.82
_cell_angle_gamma   34.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnRu
_chemical_formula_sum   'Ta2 Zn1 Ru1'
_cell_volume   65.09
_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  Ta1  1  0.08  0.0  0.19  1.0
  Ta  Ta2  1  0.99  0.0  0.04  1.0
  Zn  Zn3  1  0.19  0.0  0.19  1.0
  Ru  Ru0  1  0.21  0.0  0.12  1.0

data_Ta2ZnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.58
_cell_length_c   5.22
_cell_angle_alpha   111.82
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnRu
_chemical_formula_sum   'Ta2 Zn1 Ru1'
_cell_volume   65.09
_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  0.0  0.04  0.99  1.0
  Ta  Ta1  1  0.0  0.19  0.08  1.0
  Zn  Zn2  1  0.0  0.19  0.19  1.0
  Ru  Ru3  1  0.0  0.12  0.21  1.0

Ta Ta Zn Ru
Ta Ta Zn Ru 0 1 - o o 0 2 o o o 2 3 o o o 
Ta2RuZn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2RuZn cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a water-like geometry to one Ta(2) and one Zn(1) atom. The Ta(1)-Ta(2) bond length is 0.67 Å. The Ta(1)-Zn(1) bond length is 0.57 Å. In the second Ta site, Ta(2) is bonded in a 2-coordinate geometry to one Ta(1) and one Ru(1) atom. The Ta(2)-Ru(1) bond length is 1.08 Å. Ru(1) is bonded in a single-bond geometry to one Ta(2) and one Zn(1) atom. The Ru(1)-Zn(1) bond length is 0.38 Å. Zn(1) is bonded in a distorted bent 120 degrees geometry to one Ta(1) and one Ru(1) atom.