data_Ac3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   134.65
_cell_angle_beta   134.65
_cell_angle_gamma   66.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3Cl
_chemical_formula_sum   'Ac3 Cl1'
_cell_volume   158.74
_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  0.63  0.86  1.0
  Ac  Ac1  1  0.63  0.0  0.86  1.0
  Ac  Ac2  1  0.0  0.0  0.73  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_Ac3Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   123.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ac3Cl
_chemical_formula_sum   'Ac6 Cl2'
_cell_volume   317.48
_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  0.45  0.32  0.77  1.0
  Ac  Ac1  2  0.27  0.0  0.27  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Ac Ac Ac Cl
Ac Ac Ac Cl 0 3 o + + 1 3 + o + 2 3 o o + 