data_Sm2VW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2VW
_chemical_formula_sum   'Sm2 V1 W1'
_cell_volume   92.46
_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  Sm0  1  0.38  0.38  0.38  1.0
  Sm  Sm1  1  0.79  0.79  0.79  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.59  0.59  0.59  1.0

data_Sm2VW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sm2VW
_chemical_formula_sum   'Sm6 V3 W3'
_cell_volume   277.37
_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
  Sm  Sm0  3  0.0  0.0  0.21  1.0
  Sm  Sm1  3  0.0  0.0  0.62  1.0
  V  V2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.41  1.0

Sm Sm V W
Sm Sm V W 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 2 + o + 1 2 o + + 1 2 + + o 1 2 + + + 1 3 o o o 1 3 o o + 1 3 + o o 1 3 o + o 2 3 - - o 2 3 - o - 2 3 o - - 
Sm2VW is Heusler structured and 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 single-bond geometry to three equivalent V(1) and one W(1) atom. All Sm(1)-V(1) bond lengths are 3.00 Å. The Sm(1)-W(1) bond length is 2.56 Å. In the second Sm site, Sm(2) is bonded in a distorted linear geometry to four equivalent V(1) and one W(1) atom. There is one shorter (2.56 Å) and three longer (3.33 Å) Sm(2)-V(1) bond lengths. The Sm(2)-W(1) bond length is 2.56 Å. V(1) is bonded in a 10-coordinate geometry to three equivalent Sm(1), four equivalent Sm(2), and three equivalent W(1) atoms. All V(1)-W(1) bond lengths are 3.09 Å. W(1) is bonded in a distorted linear geometry to one Sm(1), one Sm(2), and three equivalent V(1) atoms.