data_[Ac12Sn2Os4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8661]
_cell_length_b [13.6117]
_cell_length_c [8.9493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6SnOs2I3]
_chemical_formula_sum '[Ac12 Sn2 Os4 I6]'
_cell_volume [915.4325]
_cell_formula_units_Z [2]
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  8  0.2483  0.1843  0.1912  1
  Ac  Ac1  4  0.1956  0.5000  0.1899  1
  Sn  Sn2  2  0.0000  0.0000  0.0000  1
  Os  Os3  4  0.0000  0.3329  0.0000  1
  I  I4  4  0.0000  0.1601  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]