data_AcSm2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcSm2W
_chemical_formula_sum   'Ac1 Sm2 W1'
_cell_volume   112.53
_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
  Ac  Ac0  1  0.83  0.83  0.83  1.0
  Sm  Sm1  1  0.75  0.75  0.75  1.0
  Sm  Sm2  1  0.92  0.92  0.92  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_AcSm2W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   13.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AcSm2W
_chemical_formula_sum   'Ac3 Sm6 W3'
_cell_volume   337.58
_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
  Ac  Ac0  3  0.0  0.0  0.17  1.0
  Sm  Sm1  3  0.0  0.0  0.08  1.0
  Sm  Sm2  3  0.0  0.0  0.25  1.0
  W  W3  3  0.0  0.0  0.0  1.0

Ac Sm Sm W
Ac Sm Sm W 0 1 o o o 0 2 o o o 2 3 + + + 
AcSm2W crystallizes in the trigonal R3m space group. Ac(1) is bonded in a linear geometry to one Sm(1) and one Sm(2) atom. The Ac(1)-Sm(1) bond length is 1.12 Å. The Ac(1)-Sm(2) bond length is 1.12 Å. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one Ac(1) and three equivalent W(1) atoms to form distorted corner-sharing SmAcW3 tetrahedra. All Sm(1)-W(1) bond lengths are 3.31 Å. In the second Sm site, Sm(2) is bonded in a distorted linear geometry to one Ac(1) and one W(1) atom. The Sm(2)-W(1) bond length is 1.12 Å. W(1) is bonded in a single-bond geometry to one Sm(2) and three equivalent Sm(1) atoms.