data_[Ac24Ru9I12F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6461]
_cell_length_b [8.6461]
_cell_length_c [26.0325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac8Ru3I4F]
_chemical_formula_sum '[Ac24 Ru9 I12 F3]'
_cell_volume [1685.3302]
_cell_formula_units_Z [3]
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  18  0.0083  0.5042  0.2722  1
  Ac  Ac1  6  0.0000  0.0000  0.2708  1
  Ru  Ru2  9  0.0000  0.5000  0.0000  1
  I  I3  9  0.0000  0.5000  0.5000  1
  I  I4  3  -0.0000  -0.0000  0.5000  1
  F  F5  3  -0.0000  -0.0000  0.0000  1
]