data_[Ac6Al12Ag10]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5816]
_cell_length_b [10.4935]
_cell_length_c [13.3459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3Al6Ag5]
_chemical_formula_sum '[Ac6 Al12 Ag10]'
_cell_volume [641.6241]
_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  4  0.0000  0.0000  0.3014  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0000  0.2832  0.1225  1
  Al  Al3  4  0.0000  0.2057  0.5000  1
  Ag  Ag4  8  0.0000  0.3500  0.3327  1
  Ag  Ag5  2  0.0000  0.5000  0.0000  1
]