data_[Ba3Ac9Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.9352]
_cell_length_b [5.9352]
_cell_length_c [29.0820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaAc3Al8]
_chemical_formula_sum '[Ba3 Ac9 Al24]'
_cell_volume [887.1962]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.1259  1
  Ac  Ac1  3  0.0000  0.0000  0.0015  1
  Ac  Ac2  3  0.0000  0.0000  0.4983  1
  Ac  Ac3  3  0.0000  0.0000  0.6244  1
  Al  Al4  9  0.0016  0.5008  0.5640  1
  Al  Al5  9  0.1675  0.3351  0.3944  1
  Al  Al6  3  0.0000  0.0000  0.3127  1
  Al  Al7  3  0.0000  0.0000  0.8122  1
]