data_CaTa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2Ru
_chemical_formula_sum   'Ca1 Ta2 Ru1'
_cell_volume   73.24
_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  0.39  0.0  0.6  1.0
  Ta  Ta3  1  0.0  0.39  0.6  1.0
  Ru  Ru1  1  0.39  0.39  0.0  1.0

data_CaTa2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTa2Ru
_chemical_formula_sum   'Ca2 Ta4 Ru2'
_cell_volume   146.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  4  0.2  0.2  0.6  1.0
  Ru  Ru2  2  0.39  0.0  0.0  1.0

Ca Ta Ta Ru
CaTa2Ru crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTa2Ru clusters. Ca(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms. Both Ca(1)-Ta(1) bond lengths are 2.27 Å. Ta(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Ru(1) atom. The Ta(1)-Ru(1) bond length is 2.27 Å. Ru(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms.