data_BaAcEu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAcEu2
_chemical_formula_sum   'Ba1 Ac1 Eu2'
_cell_volume   192.71
_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
  Ba  Ba1  1  0.0  0.0  0.0  1.0
  Ac  Ac0  1  0.58  0.58  0.58  1.0
  Eu  Eu2  1  0.29  0.29  0.29  1.0
  Eu  Eu3  1  0.88  0.88  0.88  1.0

data_BaAcEu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   15.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaAcEu2
_chemical_formula_sum   'Ba3 Ac3 Eu6'
_cell_volume   578.13
_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
  Ba  Ba0  3  0.0  0.0  0.0  1.0
  Ac  Ac1  3  0.0  0.0  0.42  1.0
  Eu  Eu2  3  0.0  0.0  0.12  1.0
  Eu  Eu3  3  0.0  0.0  0.71  1.0

Ba Ac Eu Eu
Ba Ac Eu Eu 0 3 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 2 o o - 0 2 o - o 0 2 - o o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 - - o 2 3 - o - 2 3 o - - 
BaAcEu2 is Heusler structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded in a single-bond geometry to three equivalent Ac(1), one Eu(2), and four equivalent Eu(1) atoms. All Ba(1)-Ac(1) bond lengths are 3.96 Å. The Ba(1)-Eu(2) bond length is 1.96 Å. There are three shorter (3.80 Å) and one longer (4.64 Å) Ba(1)-Eu(1) bond length. Ac(1) is bonded in a 11-coordinate geometry to three equivalent Ba(1), four equivalent Eu(1), and four equivalent Eu(2) atoms. There are three shorter (3.80 Å) and one longer (4.64 Å) Ac(1)-Eu(1) bond length. There are three shorter (3.80 Å) and one longer (4.64 Å) Ac(1)-Eu(2) bond length. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded in a 11-coordinate geometry to four equivalent Ba(1), four equivalent Ac(1), and three equivalent Eu(2) atoms. All Eu(1)-Eu(2) bond lengths are 3.96 Å. In the second Eu site, Eu(2) is bonded in a single-bond geometry to one Ba(1), four equivalent Ac(1), and three equivalent Eu(1) atoms.