data_CaSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiRu
_chemical_formula_sum   'Ca1 Si1 Ru1'
_cell_volume   61.95
_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  0.02  0.16  0.2  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.33  0.0  1.0

data_CaSiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiRu
_chemical_formula_sum   'Ca1 Si1 Ru1'
_cell_volume   61.95
_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  0.02  0.16  0.2  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.33  0.0  1.0

Ca Si Ru
Ca Si Ru 0 2 o o o 0 1 o o o 1 2 o o o 
CaRuSi is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaRuSi cluster. Ca(1) is bonded in a 2-coordinate geometry to one Ru(1) and one Si(1) atom. The Ca(1)-Ru(1) bond length is 1.11 Å. The Ca(1)-Si(1) bond length is 1.07 Å. Ru(1) is bonded in a distorted single-bond geometry to one Ca(1) atom. Si(1) is bonded in a distorted single-bond geometry to one Ca(1) atom.