# generated using pymatgen
data_Ac3SiI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.41498622
_cell_length_b   11.41498675
_cell_length_c   11.41498713
_cell_angle_alpha   109.47122129
_cell_angle_beta   109.47122225
_cell_angle_gamma   109.47122307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3SiI3
_chemical_formula_sum   'Ac12 Si4 I12'
_cell_volume   1144.99690644
_cell_formula_units_Z   4
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  0.46910783  0.48455391  0.23455391  1.0
  Ac  Ac1  1  0.75000000  0.23455391  0.26544609  1.0
  Ac  Ac2  1  0.75000000  0.01544609  0.48455391  1.0
  Ac  Ac3  1  0.23455391  0.46910783  0.48455391  1.0
  Ac  Ac4  1  0.26544609  0.75000000  0.23455391  1.0
  Ac  Ac5  1  0.03089217  0.26544609  0.01544609  1.0
  Ac  Ac6  1  0.01544609  0.03089217  0.26544609  1.0
  Ac  Ac7  1  0.48455391  0.75000000  0.01544609  1.0
  Ac  Ac8  1  0.48455391  0.23455391  0.46910783  1.0
  Ac  Ac9  1  0.01544609  0.48455391  0.75000000  1.0
  Ac  Ac10  1  0.26544609  0.01544609  0.03089217  1.0
  Ac  Ac11  1  0.23455391  0.26544609  0.75000000  1.0
  Si  Si12  1  0.25000000  0.25000000  0.25000000  1.0
  Si  Si13  1  0.50000000  0.00000000  0.25000000  1.0
  Si  Si14  1  0.00000000  0.25000000  0.50000000  1.0
  Si  Si15  1  0.25000000  0.50000000  0.00000000  1.0
  I  I16  1  0.25000000  0.75898421  0.74101579  1.0
  I  I17  1  0.51796842  0.50898421  0.75898421  1.0
  I  I18  1  0.98203158  0.74101579  0.99101579  1.0
  I  I19  1  0.74101579  0.25000000  0.75898421  1.0
  I  I20  1  0.99101579  0.98203158  0.74101579  1.0
  I  I21  1  0.25000000  0.99101579  0.50898421  1.0
  I  I22  1  0.75898421  0.51796842  0.50898421  1.0
  I  I23  1  0.50898421  0.25000000  0.99101579  1.0
  I  I24  1  0.75898421  0.74101579  0.25000000  1.0
  I  I25  1  0.74101579  0.99101579  0.98203158  1.0
  I  I26  1  0.99101579  0.50898421  0.25000000  1.0
  I  I27  1  0.50898421  0.75898421  0.51796842  1.0