data_SmBeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmBeW2
_chemical_formula_sum   'Sm1 Be1 W2'
_cell_volume   67.04
_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  Sm1  1  0.22  0.22  0.22  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.61  0.61  0.61  1.0
  W  W3  1  0.84  0.84  0.84  1.0

data_SmBeW2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   11.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SmBeW2
_chemical_formula_sum   'Sm3 Be3 W6'
_cell_volume   201.13
_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  0.78  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  W  W2  3  0.0  0.0  0.16  1.0
  W  W3  3  0.0  0.0  0.39  1.0

Sm Be W W
Sm Be W W 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 1 2 o - - 1 2 - o - 1 2 - - o 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
BeSmW2 crystallizes in the trigonal R3m space group. Be(1) is bonded in a distorted single-bond geometry to one Sm(1), one W(2), and three equivalent W(1) atoms. The Be(1)-Sm(1) bond length is 2.51 Å. The Be(1)-W(2) bond length is 1.83 Å. All Be(1)-W(1) bond lengths are 2.70 Å. Sm(1) is bonded in a 7-coordinate geometry to one Be(1), three equivalent W(1), and three equivalent W(2) atoms. All Sm(1)-W(1) bond lengths are 2.70 Å. All Sm(1)-W(2) bond lengths are 2.70 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 7-coordinate geometry to three equivalent Be(1), three equivalent Sm(1), and one W(2) atom. The W(1)-W(2) bond length is 2.51 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Be(1), three equivalent Sm(1), and one W(1) atom.