data_[Ac3Al9B12O36]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.4814]
_cell_length_b [9.4814]
_cell_length_c [7.5314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [AcAl3(BO3)4]
_chemical_formula_sum '[Ac3 Al9 B12 O36]'
_cell_volume [586.3465]
_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  0.0000  1
  Al  Al1  9  0.0000  0.5562  0.0000  1
  B  B2  9  0.0000  0.4391  0.5000  1
  B  B3  3  0.0000  0.0000  0.5000  1
  O  O4  18  0.0343  0.2240  0.1986  1
  O  O5  9  0.0000  0.5883  0.5000  1
  O  O6  9  0.0000  0.8515  0.5000  1
]