data_LiGe4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGe4Rh
_chemical_formula_sum   'Li1 Ge4 Rh1'
_cell_volume   108.83
_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  Li4  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.85  0.85  0.73  1.0
  Ge  Ge1  1  0.85  0.73  0.85  1.0
  Ge  Ge2  1  0.73  0.85  0.85  1.0
  Ge  Ge3  1  0.73  0.73  0.73  1.0
  Rh  Rh5  1  0.89  0.89  0.89  1.0

data_LiGe4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   13.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiGe4Rh
_chemical_formula_sum   'Li3 Ge12 Rh3'
_cell_volume   326.5
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Ge  Ge1  9  0.08  0.04  0.19  1.0
  Ge  Ge2  3  0.0  0.0  0.27  1.0
  Rh  Rh3  3  0.0  0.0  0.11  1.0

Li Ge Ge Ge Ge Rh
LiRhGe4 crystallizes in the trigonal R3m space group. Li(1) is bonded in a single-bond geometry to one Rh(1) and three equivalent Ge(2) atoms. The Li(1)-Rh(1) bond length is 1.38 Å. All Li(1)-Ge(2) bond lengths are 3.21 Å. Rh(1) is bonded in a distorted single-bond geometry to one Li(1) and three equivalent Ge(1) atoms. All Rh(1)-Ge(1) bond lengths are 1.18 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Rh(1), one Ge(2), and two equivalent Ge(1) atoms. The Ge(1)-Ge(2) bond length is 1.08 Å. Both Ge(1)-Ge(1) bond lengths are 0.63 Å. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Ge(1) atoms.