data_Ca2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   48.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2RuRh
_chemical_formula_sum   'Ca2 Ru1 Rh1'
_cell_volume   98.86
_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  0.18  0.0  0.82  1.0
  Ca  Ca1  1  0.0  0.0  0.68  1.0
  Ru  Ru3  1  0.0  0.0  0.78  1.0
  Rh  Rh2  1  0.18  0.0  0.73  1.0

data_Ca2RuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.53
_cell_length_c   5.49
_cell_angle_alpha   114.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2RuRh
_chemical_formula_sum   'Ca2 Ru1 Rh1'
_cell_volume   98.86
_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  0.68  0.68  1.0
  Ca  Ca1  1  0.82  0.82  0.82  1.0
  Ru  Ru2  1  0.0  0.78  0.78  1.0
  Rh  Rh3  1  0.82  0.73  0.73  1.0

Ca Ca Ru Rh
Ca2RuRh crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ca2RuRh cluster. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted single-bond geometry to one Ru(1) and one Rh(1) atom. The Ca(1)-Ru(1) bond length is 0.82 Å. The Ca(1)-Rh(1) bond length is 0.49 Å. In the second Ca site, Ca(2) is bonded in a 2-coordinate geometry to one Ru(1) and one Rh(1) atom. The Ca(2)-Ru(1) bond length is 0.55 Å. The Ca(2)-Rh(1) bond length is 0.83 Å. Ru(1) is bonded in a 1-coordinate geometry to one Ca(1) and one Ca(2) atom. Rh(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Ca(2) atom.