data_[Ac12Al6In6Ga36]
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
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.4678]
_cell_length_b [6.4678]
_cell_length_c [42.0172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2AlInGa6]
_chemical_formula_sum '[Ac12 Al6 In6 Ga36]'
_cell_volume [1522.2027]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1136  1
  Ac  Ac1  6  0.0000  0.0000  0.3084  1
  Al  Al2  3  -0.0000  -0.0000  0.5000  1
  Al  Al3  3  0.0000  0.0000  0.0000  1
  In  In4  6  0.0000  0.0000  0.4281  1
  Ga  Ga5  18  0.0057  0.5028  0.2892  1
  Ga  Ga6  18  0.0713  0.5356  0.8634  1
]