data_AcYO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   57.45
_cell_angle_beta   57.45
_cell_angle_gamma   57.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcYO3
_chemical_formula_sum   'Ac2 Y2 O6'
_cell_volume   167.98
_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  0.81  1.0
  Ac  Ac1  1  0.0  0.0  0.96  1.0
  Y  Y8  1  0.0  0.0  0.32  1.0
  Y  Y9  1  0.0  0.0  0.45  1.0
  O  O2  1  0.31  0.83  0.63  1.0
  O  O3  1  0.99  0.08  0.63  1.0
  O  O4  1  0.7  0.09  0.63  1.0
  O  O5  1  0.3  0.91  0.14  1.0
  O  O6  1  0.01  0.92  0.14  1.0
  O  O7  1  0.69  0.17  0.14  1.0

data_AcYO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.32
_cell_angle_alpha   61.27
_cell_angle_beta   61.27
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AcYO3
_chemical_formula_sum   'Ac2 Y2 O6'
_cell_volume   167.98
_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  0.08  0.42  1.0
  Y  Y1  2  0.0  0.43  0.07  1.0
  O  O2  2  0.08  0.74  0.69  1.0
  O  O3  2  0.09  0.74  0.97  1.0
  O  O4  2  0.17  0.26  0.38  1.0

Ac Ac Y Y O O O O O O