data_Li4VRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4VRh
_chemical_formula_sum   'Li4 V1 Rh1'
_cell_volume   76.35
_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  0.2  0.2  0.54  1.0
  Li  Li1  1  0.2  0.54  0.2  1.0
  Li  Li2  1  0.54  0.2  0.2  1.0
  Li  Li3  1  0.54  0.54  0.54  1.0
  V  V5  1  0.0  0.0  0.0  1.0
  Rh  Rh4  1  0.05  0.05  0.05  1.0

data_Li4VRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   11.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Li4VRh
_chemical_formula_sum   'Li12 V3 Rh3'
_cell_volume   229.06
_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  9  0.11  0.55  0.36  1.0
  Li  Li1  3  0.0  0.0  0.46  1.0
  V  V2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.95  1.0

Li Li Li Li V Rh
Li4VRh crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to three equivalent Li(2) and one V(1) atom. There are two shorter (2.72 Å) and one longer (2.80 Å) Li(1)-Li(2) bond length. The Li(1)-V(1) bond length is 1.83 Å. In the second Li site, Li(2) is bonded in a 15-coordinate geometry to nine equivalent Li(1), three equivalent V(1), and three equivalent Rh(1) atoms. All Li(2)-V(1) bond lengths are 3.14 Å. All Li(2)-Rh(1) bond lengths are 3.28 Å. V(1) is bonded in a single-bond geometry to three equivalent Li(1), three equivalent Li(2), and one Rh(1) atom. The V(1)-Rh(1) bond length is 0.59 Å. Rh(1) is bonded in a single-bond geometry to three equivalent Li(2) and one V(1) atom.