data_[Ac12Ru4I6N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3353]
_cell_length_b [12.7088]
_cell_length_c [8.9367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Ru2I3N]
_chemical_formula_sum '[Ac12 Ru4 I6 N2]'
_cell_volume [801.4365]
_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  0.2178  0.8417  0.1783  1
  Ac  Ac1  4  0.2436  0.5000  0.1793  1
  Ru  Ru2  4  0.0000  0.3336  0.0000  1
  I  I3  4  0.0000  0.1718  0.5000  1
  I  I4  2  0.0000  0.5000  0.5000  1
  N  N5  2  0.0000  0.0000  0.0000  1
]