data_AcGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   54.03
_cell_angle_beta   54.03
_cell_angle_gamma   54.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcGaO3
_chemical_formula_sum   'Ac2 Ga2 O6'
_cell_volume   138.54
_cell_formula_units_Z   2
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  0.93  1.0
  Ac  Ac1  1  0.0  0.0  0.66  1.0
  Ga  Ga2  1  0.0  0.0  0.36  1.0
  Ga  Ga3  1  0.0  0.0  0.24  1.0
  O  O4  1  0.5  0.66  0.37  1.0
  O  O5  1  0.81  0.74  0.37  1.0
  O  O6  1  0.68  0.6  0.37  1.0
  O  O7  1  0.32  0.4  0.23  1.0
  O  O8  1  0.19  0.26  0.23  1.0
  O  O9  1  0.5  0.34  0.23  1.0

data_AcGaO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.11
_cell_angle_alpha   62.99
_cell_angle_beta   62.99
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AcGaO3
_chemical_formula_sum   'Ac2 Ga2 O6'
_cell_volume   138.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.13  0.37  1.0
  Ga  Ga1  2  0.0  0.44  0.06  1.0
  O  O2  2  0.26  0.43  0.63  1.0
  O  O3  2  0.34  0.43  0.23  1.0
  O  O4  2  0.4  0.43  0.36  1.0

Ac Ac Ga Ga O O O O O O
AcGaO3 crystallizes in the triclinic P-1 space group. Ac(1) is bonded in a 5-coordinate geometry to one Ac(1), one Ga(1), one O(1), one O(2), and one O(3) atom. The Ac(1)-Ac(1) bond length is 1.64 Å. The Ac(1)-Ga(1) bond length is 1.89 Å. The Ac(1)-O(1) bond length is 2.72 Å. The Ac(1)-O(2) bond length is 2.13 Å. The Ac(1)-O(3) bond length is 2.90 Å. Ga(1) is bonded in a 3-coordinate geometry to one Ac(1), one Ga(1), one O(1), and one O(2) atom. The Ga(1)-Ga(1) bond length is 0.69 Å. The Ga(1)-O(1) bond length is 2.53 Å. The Ga(1)-O(2) bond length is 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ac(1), one Ga(1), and one O(3) atom. The O(1)-O(3) bond length is 0.95 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ac(1), one Ga(1), and one O(3) atom. The O(2)-O(3) bond length is 1.46 Å. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ac(1), one O(1), and one O(2) atom.