data_AcAuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   59.97
_cell_angle_beta   59.97
_cell_angle_gamma   59.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcAuO3
_chemical_formula_sum   'Ac2 Au2 O6'
_cell_volume   158.7
_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  0.34  1.0
  Ac  Ac1  1  0.0  0.0  0.56  1.0
  Au  Au2  1  0.0  0.0  0.67  1.0
  Au  Au3  1  0.0  0.0  0.22  1.0
  O  O4  1  0.98  0.92  0.59  1.0
  O  O5  1  0.31  0.16  0.59  1.0
  O  O6  1  0.71  0.92  0.59  1.0
  O  O7  1  0.29  0.08  0.3  1.0
  O  O8  1  0.69  0.84  0.3  1.0
  O  O9  1  0.02  0.08  0.3  1.0

data_AcAuO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   60.02
_cell_angle_beta   60.02
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AcAuO3
_chemical_formula_sum   'Ac2 Au2 O6'
_cell_volume   158.7
_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  0.39  0.11  1.0
  Au  Au1  2  0.0  0.28  0.22  1.0
  O  O2  2  0.08  0.35  0.05  1.0
  O  O3  2  0.08  0.35  0.78  1.0
  O  O4  2  0.16  0.65  0.39  1.0

Ac Ac Au Au O O O O O O
Ac Ac Au Au O O O O O O 0 9 o o o 0 3 o o o 0 6 - - o 0 7 o o o 1 4 - - o 1 2 o o o 1 6 - - o 1 7 o o o 2 5 o o o 2 7 o o o 3 6 - - o 3 8 - - o 4 6 o o o 4 7 + + o 5 7 o o o 5 6 o - o 6 8 o o o 6 9 + + o 7 9 o o o 7 8 o - o 