data_LaSbRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbRh
_chemical_formula_sum   'La1 Sb1 Rh1'
_cell_volume   82.6
_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
  La  La0  1  0.46  0.46  0.46  1.0
  Sb  Sb2  1  0.18  0.18  0.18  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_LaSbRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaSbRh
_chemical_formula_sum   'La3 Sb3 Rh3'
_cell_volume   247.79
_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
  La  La0  3  0.0  0.0  0.54  1.0
  Sb  Sb1  3  0.0  0.0  0.82  1.0
  Rh  Rh2  3  0.0  0.0  -0.0  1.0

La Sb Rh
La Sb Rh 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o o + 0 2 o + o 0 2 + o o 1 2 o o o 
LaRhSb is half-Heusler structured and crystallizes in the trigonal R3m space group. La(1) is bonded in a 10-coordinate geometry to six equivalent Rh(1) and four equivalent Sb(1) atoms. There are three shorter (3.18 Å) and three longer (3.78 Å) La(1)-Rh(1) bond lengths. There are three shorter (2.92 Å) and one longer (3.25 Å) La(1)-Sb(1) bond length. Rh(1) is bonded in a 1-coordinate geometry to six equivalent La(1) and four equivalent Sb(1) atoms. There is one shorter (2.21 Å) and three longer (3.34 Å) Rh(1)-Sb(1) bond lengths. Sb(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Rh(1) atoms.