data_[Ac8Bi4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5922]
_cell_length_b [5.0817]
_cell_length_c [14.7262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2BiI3]
_chemical_formula_sum '[Ac8 Bi4 I12]'
_cell_volume [1222.3798]
_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  4  0.1078  0.5000  0.4519  1
  Ac  Ac1  4  0.1358  0.0000  0.8293  1
  Bi  Bi2  4  0.0957  0.5000  0.6681  1
  I  I3  4  0.0620  0.0000  0.2642  1
  I  I4  4  0.1581  0.5000  0.0113  1
  I  I5  4  0.2370  0.0000  0.6020  1
]