data_[Ac12Rh6I4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5608]
_cell_length_b [13.1094]
_cell_length_c [9.0146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Rh3I2]
_chemical_formula_sum '[Ac12 Rh6 I4]'
_cell_volume [857.6514]
_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  0.2284  0.1666  0.1841  1
  Ac  Ac1  4  0.2279  0.5000  0.1838  1
  Rh  Rh2  4  0.0000  0.3312  0.0000  1
  Rh  Rh3  2  0.0000  0.0000  0.0000  1
  I  I4  4  0.0000  0.1665  0.5000  1
]