data_LiLaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaRh
_chemical_formula_sum   'Li1 La1 Rh1'
_cell_volume   72.12
_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  Li1  1  0.0  0.0  0.0  1.0
  La  La0  1  0.3  0.3  0.3  1.0
  Rh  Rh2  1  0.65  0.65  0.65  1.0

data_LiLaRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiLaRh
_chemical_formula_sum   'Li3 La3 Rh3'
_cell_volume   216.37
_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
  La  La1  3  0.0  0.0  0.7  1.0
  Rh  Rh2  3  0.0  0.0  0.35  1.0

Li La Rh
Li La Rh 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 - o o 1 2 o - o 1 2 o o - 
LiLaRh crystallizes in the trigonal R3m space group. Li(1) is bonded to four equivalent La(1) and three equivalent Rh(1) atoms to form distorted LiLa4Rh3 hexagonal pyramids that share corners with six equivalent La(1)Li4Rh4 hexagonal bipyramids, corners with six equivalent Li(1)La4Rh3 hexagonal pyramids, edges with three equivalent La(1)Li4Rh4 hexagonal bipyramids, and edges with six equivalent Li(1)La4Rh3 hexagonal pyramids. There are three shorter (2.72 Å) and one longer (3.48 Å) Li(1)-La(1) bond length. All Li(1)-Rh(1) bond lengths are 2.70 Å. La(1) is bonded to four equivalent Li(1) and four equivalent Rh(1) atoms to form distorted LaLi4Rh4 hexagonal bipyramids that share corners with six equivalent Li(1)La4Rh3 hexagonal pyramids, edges with twelve equivalent La(1)Li4Rh4 hexagonal bipyramids, and edges with three equivalent Li(1)La4Rh3 hexagonal pyramids. There are three shorter (2.70 Å) and one longer (3.98 Å) La(1)-Rh(1) bond length. Rh(1) is bonded in a distorted hexagonal planar geometry to three equivalent Li(1) and four equivalent La(1) atoms.