data_Sm2HfRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2HfRh
_chemical_formula_sum   'Sm2 Hf1 Rh1'
_cell_volume   94.67
_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
  Sm  Sm2  1  0.81  0.81  0.81  1.0
  Sm  Sm3  1  0.43  0.43  0.43  1.0
  Hf  Hf0  1  0.62  0.62  0.62  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_Sm2HfRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sm2HfRh
_chemical_formula_sum   'Sm6 Hf3 Rh3'
_cell_volume   284.01
_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
  Sm  Sm0  3  0.0  0.0  0.19  1.0
  Sm  Sm1  3  0.0  0.0  0.57  1.0
  Hf  Hf2  3  0.0  0.0  0.38  1.0
  Rh  Rh3  3  0.0  0.0  -0.0  1.0

Sm Sm Hf Rh
Sm Sm Hf Rh 0 2 o o o 0 3 + + + 0 1 + o o 0 1 o + o 0 1 o o + 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o o o 2 3 + + o 2 3 + o + 2 3 o + + 
Sm2HfRh crystallizes in the trigonal R3m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted linear geometry to one Hf(1) and one Rh(1) atom. The Sm(1)-Hf(1) bond length is 2.40 Å. The Sm(1)-Rh(1) bond length is 2.40 Å. In the second Sm site, Sm(2) is bonded to one Hf(1) and three equivalent Rh(1) atoms to form distorted SmHfRh3 tetrahedra that share corners with six equivalent Sm(2)HfRh3 tetrahedra, corners with three equivalent Hf(1)Sm2Rh3 trigonal bipyramids, and edges with three equivalent Hf(1)Sm2Rh3 trigonal bipyramids. The Sm(2)-Hf(1) bond length is 2.40 Å. All Sm(2)-Rh(1) bond lengths are 3.17 Å. Hf(1) is bonded to one Sm(1), one Sm(2), and three equivalent Rh(1) atoms to form distorted HfSm2Rh3 trigonal bipyramids that share corners with three equivalent Sm(2)HfRh3 tetrahedra, corners with six equivalent Hf(1)Sm2Rh3 trigonal bipyramids, and edges with three equivalent Sm(2)HfRh3 tetrahedra. All Hf(1)-Rh(1) bond lengths are 3.02 Å. Rh(1) is bonded in a 1-coordinate geometry to one Sm(1), three equivalent Sm(2), and three equivalent Hf(1) atoms.