data_[Ac3Tb9Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6495]
_cell_length_b [5.6495]
_cell_length_c [27.9453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcTb3Al8]
_chemical_formula_sum '[Ac3 Tb9 Al24]'
_cell_volume [772.4394]
_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
[
  Ac  Ac0  3  0.0000  0.0000  0.1254  1
  Tb  Tb1  3  0.0000  0.0000  0.5011  1
  Tb  Tb2  3  0.0000  0.0000  0.6244  1
  Tb  Tb3  3  0.0000  0.0000  0.9998  1
  Al  Al4  9  0.0020  0.5010  0.5651  1
  Al  Al5  9  0.1674  0.3348  0.3928  1
  Al  Al6  3  0.0000  0.0000  0.3119  1
  Al  Al7  3  0.0000  0.0000  0.8136  1
]