data_[Ac12Ag12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4187]
_cell_length_b [11.6497]
_cell_length_c [17.2360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3Ag3Pd2]
_chemical_formula_sum '[Ac12 Ag12 Pd8]'
_cell_volume [887.2490]
_cell_formula_units_Z [4]
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  8  0.0000  0.1216  0.5911  1
  Ac  Ac1  4  0.0000  0.3776  0.7500  1
  Ag  Ag2  8  0.0000  0.4088  0.5521  1
  Ag  Ag3  4  0.0000  0.3427  0.2500  1
  Pd  Pd4  8  0.0000  0.1896  0.1223  1
]