data_AcPaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcPaAl2
_chemical_formula_sum   'Ac1 Pa1 Al2'
_cell_volume   106.7
_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  0.0  0.0  0.0  1.0
  Pa  Pa3  1  0.76  0.76  0.76  1.0
  Al  Al1  1  0.65  0.65  0.65  1.0
  Al  Al2  1  0.88  0.88  0.88  1.0

data_AcPaAl2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   13.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AcPaAl2
_chemical_formula_sum   'Ac3 Pa3 Al6'
_cell_volume   320.09
_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  0.0  1.0
  Pa  Pa1  3  0.0  0.0  0.24  1.0
  Al  Al2  3  0.0  0.0  0.12  1.0
  Al  Al3  3  0.0  0.0  0.35  1.0

Ac Pa Al Al
Ac Pa Al Al 0 3 - - - 1 2 o o o 1 3 o o o 
PaAcAl2 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three PaAcAl2 clusters. Pa(1) is bonded in a linear geometry to one Al(1) and one Al(2) atom. The Pa(1)-Al(1) bond length is 1.54 Å. The Pa(1)-Al(2) bond length is 1.54 Å. Ac(1) is bonded in a single-bond geometry to one Al(2) atom. The Ac(1)-Al(2) bond length is 1.54 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one Pa(1) atom. In the second Al site, Al(2) is bonded in a linear geometry to one Pa(1) and one Ac(1) atom.