# generated using pymatgen
data_Ac12Hg(IrI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54218225
_cell_length_b   11.54218248
_cell_length_c   11.54218134
_cell_angle_alpha   110.10098876
_cell_angle_beta   110.10099339
_cell_angle_gamma   110.10099883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac12Hg(IrI4)3
_chemical_formula_sum   'Ac12 Hg1 Ir3 I12'
_cell_volume   1155.27709957
_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  0.46357178  0.49341733  0.22359687  1.0
  Ac  Ac1  1  0.75000000  0.22721437  0.27278563  1.0
  Ac  Ac2  1  0.75000000  0.01928447  0.48071553  1.0
  Ac  Ac3  1  0.22359687  0.46357178  0.49341733  1.0
  Ac  Ac4  1  0.27278563  0.75000000  0.22721437  1.0
  Ac  Ac5  1  0.03642822  0.27640313  0.00658267  1.0
  Ac  Ac6  1  0.00658267  0.03642822  0.27640313  1.0
  Ac  Ac7  1  0.48071553  0.75000000  0.01928447  1.0
  Ac  Ac8  1  0.49341733  0.22359687  0.46357178  1.0
  Ac  Ac9  1  0.01928447  0.48071553  0.75000000  1.0
  Ac  Ac10  1  0.27640313  0.00658267  0.03642822  1.0
  Ac  Ac11  1  0.22721437  0.27278563  0.75000000  1.0
  Hg  Hg12  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir13  1  0.50295186  0.99704814  0.25000000  1.0
  Ir  Ir14  1  0.99704814  0.25000000  0.50295186  1.0
  Ir  Ir15  1  0.25000000  0.50295186  0.99704814  1.0
  I  I16  1  0.25000000  0.76537881  0.73462119  1.0
  I  I17  1  0.51991910  0.50687523  0.75763837  1.0
  I  I18  1  0.98008090  0.74236163  0.99312477  1.0
  I  I19  1  0.73462119  0.25000000  0.76537881  1.0
  I  I20  1  0.99312477  0.98008090  0.74236163  1.0
  I  I21  1  0.25000000  0.99331684  0.50668316  1.0
  I  I22  1  0.75763837  0.51991910  0.50687523  1.0
  I  I23  1  0.50668316  0.25000000  0.99331684  1.0
  I  I24  1  0.76537881  0.73462119  0.25000000  1.0
  I  I25  1  0.74236163  0.99312477  0.98008090  1.0
  I  I26  1  0.99331684  0.50668316  0.25000000  1.0
  I  I27  1  0.50687523  0.75763837  0.51991910  1.0