data_CaTa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   148.63
_cell_angle_beta   129.72
_cell_angle_gamma   60.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2Ru
_chemical_formula_sum   'Ca1 Ta2 Ru1'
_cell_volume   77.61
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.57  0.0  0.85  1.0
  Ta  Ta3  1  0.0  0.47  0.16  1.0
  Ru  Ru1  1  0.0  0.0  0.01  1.0

data_CaTa2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.93
_cell_length_c   5.8
_cell_angle_alpha   115.14
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2Ru
_chemical_formula_sum   'Ca1 Ta2 Ru1'
_cell_volume   77.61
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.85  0.28  1.0
  Ta  Ta2  1  0.53  0.7  0.7  1.0
  Ru  Ru3  1  0.0  0.01  0.01  1.0

Ca Ta Ta Ru
CaTa2Ru crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaTa2Ru cluster. Ca(1) is bonded in a single-bond geometry to one Ta(2) and one Ru(1) atom. The Ca(1)-Ta(2) bond length is 1.96 Å. The Ca(1)-Ru(1) bond length is 0.08 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Ru(1) atom. The Ta(1)-Ru(1) bond length is 2.03 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Ca(1) atom. Ru(1) is bonded in a single-bond geometry to one Ca(1) and one Ta(1) atom.