data_[Ac12Rh6Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.3952]
_cell_length_b [4.2699]
_cell_length_c [14.3914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac6Rh3Cl]
_chemical_formula_sum '[Ac12 Rh6 Cl2]'
_cell_volume [698.1814]
_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  2  0.0488  0.2500  0.9107  1
  Ac  Ac1  2  0.0690  0.2500  0.4150  1
  Ac  Ac2  2  0.2596  0.2500  0.7286  1
  Ac  Ac3  2  0.2658  0.7500  0.2816  1
  Ac  Ac4  2  0.3903  0.2500  0.1127  1
  Ac  Ac5  2  0.4129  0.7500  0.5819  1
  Rh  Rh6  2  0.1439  0.2500  0.1341  1
  Rh  Rh7  2  0.1681  0.7500  0.5705  1
  Rh  Rh8  2  0.4959  0.7500  0.2621  1
  Cl  Cl9  2  0.2572  0.7500  0.9084  1
]