data_[Ac4S4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9816]
_cell_length_b [7.2274]
_cell_length_c [7.0888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcSIO4]
_chemical_formula_sum '[Ac4 S4 I4 O16]'
_cell_volume [550.5452]
_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  0.2436  0.5000  0.8266  1
  S  S1  4  0.1302  0.5000  0.2506  1
  I  I2  4  0.0394  0.0000  0.7571  1
  O  O3  8  0.1718  0.3357  0.1481  1
  O  O4  4  0.0054  0.5000  0.7709  1
  O  O5  4  0.1918  0.5000  0.4566  1
]