data_LiRuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRuRh2
_chemical_formula_sum   'Li1 Ru1 Rh2'
_cell_volume   54.06
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.56  1.0
  Rh  Rh1  1  0.38  0.38  0.75  1.0
  Rh  Rh2  1  0.38  0.38  0.37  1.0

data_LiRuRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiRuRh2
_chemical_formula_sum   'Li2 Ru2 Rh4'
_cell_volume   108.13
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  2  0.0  0.0  0.56  1.0
  Rh  Rh2  2  0.38  0.0  0.37  1.0
  Rh  Rh3  2  0.38  0.0  0.75  1.0

Li Ru Rh Rh
Li Ru Rh Rh 0 2 - - - 0 2 - o - 0 2 o - - 0 2 o o - 0 0 + o o 0 0 o + o 0 1 o o - 0 3 o o o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 - o o 1 2 o - o 1 2 o o o 1 2 - - o 2 2 + o o 2 2 o + o 2 3 o o o 
LiRuRh2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 1-coordinate geometry to one Rh(1) and one Rh(2) atom. The Li(1)-Rh(1) bond length is 2.32 Å. The Li(1)-Rh(2) bond length is 3.04 Å. Ru(1) is bonded in a 2-coordinate geometry to one Rh(1) and three equivalent Rh(2) atoms. The Ru(1)-Rh(1) bond length is 1.99 Å. There is one shorter (1.99 Å) and two longer (2.41 Å) Ru(1)-Rh(2) bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 2-coordinate geometry to one Li(1) and one Ru(1) atom. In the second Rh site, Rh(2) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Ru(1) atoms.