data_Ac3I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   134.37
_cell_angle_beta   134.37
_cell_angle_gamma   66.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3I
_chemical_formula_sum   'Ac3 I1'
_cell_volume   164.09
_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  0.67  0.88  1.0
  Ac  Ac1  1  0.67  0.0  0.88  1.0
  Ac  Ac2  1  0.0  0.0  0.76  1.0
  I  I3  1  0.0  0.0  0.0  1.0

data_Ac3I
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   123.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ac3I
_chemical_formula_sum   'Ac6 I2'
_cell_volume   328.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.17  0.17  0.21  1.0
  Ac  Ac1  2  0.0  0.0  0.76  1.0
  I  I2  2  0.0  0.0  0.0  1.0

Ac Ac Ac I