data_[Ac12Si4I2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8903]
_cell_length_b [4.6147]
_cell_length_c [9.2179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Si2IBr3]
_chemical_formula_sum '[Ac12 Si4 I2 Br6]'
_cell_volume [830.5481]
_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  4  0.0123  0.0000  0.2647  1
  Ac  Ac1  4  0.1713  0.5000  0.1177  1
  Ac  Ac2  4  0.1739  0.5000  0.5668  1
  Si  Si3  4  0.1674  0.0000  0.3358  1
  I  I4  2  0.0000  0.5000  0.0000  1
  Br  Br5  4  0.1644  0.0000  0.8369  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]