data_CaRuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRuRh2
_chemical_formula_sum   'Ca1 Ru1 Rh2'
_cell_volume   66.72
_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
  Ru  Ru3  1  0.0  0.0  0.99  1.0
  Rh  Rh1  1  0.45  0.45  0.28  1.0
  Rh  Rh2  1  0.45  0.45  0.7  1.0

data_CaRuRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaRuRh2
_chemical_formula_sum   'Ca2 Ru2 Rh4'
_cell_volume   133.43
_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
  Ru  Ru1  2  0.0  0.0  0.99  1.0
  Rh  Rh2  2  0.45  0.0  0.28  1.0
  Rh  Rh3  2  0.45  0.0  0.7  1.0

Ca Ru Rh Rh
Ca Ru Rh Rh 0 1 o o - 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o o + 1 2 o - + 1 2 - o + 1 2 - - + 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
CaRuRh2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a single-bond geometry to one Ru(1) and four equivalent Rh(1) atoms. The Ca(1)-Ru(1) bond length is 0.08 Å. There are a spread of Ca(1)-Rh(1) bond distances ranging from 2.89-3.19 Å. Ru(1) is bonded in a single-bond geometry to one Ca(1) and four equivalent Rh(2) atoms. There are a spread of Ru(1)-Rh(2) bond distances ranging from 2.95-3.24 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Rh(2), and four equivalent Rh(1) atoms. The Rh(1)-Rh(2) bond length is 3.34 Å. All Rh(1)-Rh(1) bond lengths are 2.89 Å. In the second Rh site, Rh(2) is bonded in a 9-coordinate geometry to four equivalent Ru(1), one Rh(1), and four equivalent Rh(2) atoms. All Rh(2)-Rh(2) bond lengths are 2.89 Å.