data_AcPa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcPa2Co
_chemical_formula_sum   'Ac1 Pa2 Co1'
_cell_volume   94.87
_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  0.62  0.62  0.62  1.0
  Pa  Pa2  1  0.43  0.43  0.43  1.0
  Pa  Pa3  1  0.81  0.81  0.81  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0

data_AcPa2Co
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AcPa2Co
_chemical_formula_sum   'Ac3 Pa6 Co3'
_cell_volume   284.61
_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  0.38  1.0
  Pa  Pa1  3  0.0  0.0  0.19  1.0
  Pa  Pa2  3  0.0  0.0  0.57  1.0
  Co  Co3  3  0.0  0.0  -0.0  1.0

Ac Pa Pa Co
Ac Pa Pa Co 0 1 o o o 0 2 o o o 0 3 + + o 0 3 + o + 0 3 o + + 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + + + 
Pa2AcCo crystallizes in the trigonal R3m space group. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded in a distorted single-bond geometry to one Ac(1) and three equivalent Co(1) atoms. The Pa(1)-Ac(1) bond length is 2.38 Å. All Pa(1)-Co(1) bond lengths are 3.19 Å. In the second Pa site, Pa(2) is bonded in a linear geometry to one Ac(1) and one Co(1) atom. The Pa(2)-Ac(1) bond length is 2.38 Å. The Pa(2)-Co(1) bond length is 2.38 Å. Ac(1) is bonded in a 5-coordinate geometry to one Pa(1), one Pa(2), and three equivalent Co(1) atoms. All Ac(1)-Co(1) bond lengths are 3.01 Å. Co(1) is bonded in a 7-coordinate geometry to one Pa(2), three equivalent Pa(1), and three equivalent Ac(1) atoms.