data_Sm3Sb4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71
_cell_length_b   8.71
_cell_length_c   8.71
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Sb4Au3
_chemical_formula_sum   'Sm6 Sb8 Au6'
_cell_volume   509.04
_cell_formula_units_Z   2
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  Sm0  1  0.77  0.0  0.51  1.0
  Sm  Sm1  1  0.26  0.0  0.54  1.0
  Sm  Sm2  1  0.51  0.77  0.0  1.0
  Sm  Sm3  1  0.0  0.51  0.77  1.0
  Sm  Sm4  1  0.54  0.26  0.0  1.0
  Sm  Sm5  1  0.0  0.54  0.26  1.0
  Sb  Sb6  1  0.89  0.89  0.89  1.0
  Sb  Sb7  1  0.11  0.14  0.89  1.0
  Sb  Sb8  1  0.89  0.11  0.14  1.0
  Sb  Sb9  1  0.14  0.89  0.11  1.0
  Sb  Sb10  1  0.41  0.41  0.41  1.0
  Sb  Sb11  1  0.62  0.65  0.38  1.0
  Sb  Sb12  1  0.65  0.38  0.62  1.0
  Sb  Sb13  1  0.38  0.62  0.65  1.0
  Au  Au14  1  0.77  0.03  0.49  1.0
  Au  Au15  1  0.26  0.03  0.51  1.0
  Au  Au16  1  0.49  0.77  0.03  1.0
  Au  Au17  1  0.03  0.49  0.77  1.0
  Au  Au18  1  0.51  0.26  0.03  1.0
  Au  Au19  1  0.03  0.51  0.26  1.0

data_Sm3Sb4Au3
_symmetry_space_group_name_H-M   R3
_cell_length_a   14.23
_cell_length_b   14.23
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Sm3Sb4Au3
_chemical_formula_sum   'Sm18 Sb24 Au18'
_cell_volume   1527.12
_cell_formula_units_Z   6
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  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  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'
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  9  0.01  0.25  0.76  1.0
  Sm  Sm1  9  0.07  0.68  0.93  1.0
  Sb  Sb2  9  0.06  0.15  0.05  1.0
  Sb  Sb3  9  0.07  0.17  0.55  1.0
  Sb  Sb4  3  0.0  0.0  0.41  1.0
  Sb  Sb5  3  0.0  0.0  0.89  1.0
  Au  Au6  9  0.01  0.28  0.76  1.0
  Au  Au7  9  0.1  0.68  0.93  1.0

Sm Sm Sm Sm Sm Sm Sb Sb Sb Sb Sb Sb Sb Sb Au Au Au Au Au Au
Sm Sm Sm Sm Sm Sm Sb Sb Sb Sb Sb Sb Sb Sb Au Au Au Au Au Au 0 14 o o o 0 11 o - o 1 15 o o o 2 16 o o o 2 13 o o - 3 17 o o o 3 12 - o o 4 18 o o o 5 19 o o o 6 8 o + + 6 7 + + o 6 9 + o + 10 13 o o o 10 12 o o o 10 11 o o o 11 14 o + o 12 17 + o o 13 16 o o + 
Sm3Au3Sb4 crystallizes in the trigonal R3 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a single-bond geometry to one Au(1), one Sb(1), one Sb(2), and one Sb(4) atom. The Sm(1)-Au(1) bond length is 0.43 Å. The Sm(1)-Sb(1) bond length is 3.64 Å. The Sm(1)-Sb(2) bond length is 3.08 Å. The Sm(1)-Sb(4) bond length is 2.51 Å. In the second Sm site, Sm(2) is bonded in a single-bond geometry to one Au(2) and one Sb(2) atom. The Sm(2)-Au(2) bond length is 0.43 Å. The Sm(2)-Sb(2) bond length is 3.71 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Sm(1) atom. In the second Au site, Au(2) is bonded in a single-bond geometry to one Sm(2) and one Sb(2) atom. The Au(2)-Sb(2) bond length is 3.01 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent Sm(1) and three equivalent Sb(2) atoms. All Sb(1)-Sb(2) bond lengths are 2.29 Å. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Au(2), and one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a distorted T-shaped geometry to three equivalent Sb(4) atoms. All Sb(3)-Sb(4) bond lengths are 2.45 Å. In the fourth Sb site, Sb(4) is bonded in a distorted single-bond geometry to one Sm(1) and one Sb(3) atom.