data_[Ac12Rh4I6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Rh  2.2800  1.3500  0.7450
  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 [7.3849]
_cell_length_b [12.7982]
_cell_length_c [8.9630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Rh2I3N]
_chemical_formula_sum '[Ac12 Rh4 I6 N2]'
_cell_volume [814.5335]
_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  0.2172  0.1574  0.1781  1
  Ac  Ac1  4  0.2451  0.5000  0.1789  1
  Rh  Rh2  4  0.0000  0.3337  0.0000  1
  I  I3  4  0.0000  0.1709  0.5000  1
  I  I4  2  0.0000  0.5000  0.5000  1
  N  N5  2  0.0000  0.0000  0.0000  1
]