data_[Ac2Al12Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0900]
_cell_length_b [6.6401]
_cell_length_c [8.4757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac(Al2Rh)3]
_chemical_formula_sum '[Ac2 Al12 Rh6]'
_cell_volume [356.1096]
_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  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.1453  0.5103  0.1804  1
  Al  Al2  4  0.3225  0.1673  0.3996  1
  Al  Al3  4  0.4494  0.7051  0.7550  1
  Rh  Rh4  4  0.2223  0.6690  0.9269  1
  Rh  Rh5  2  0.5000  0.0000  0.0000  1
]