data_[Ac4Ag8Pd12]
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 [I4/mmm]
_cell_length_a [4.1417]
_cell_length_b [4.1417]
_cell_length_c [30.3871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [AcAg2Pd3]
_chemical_formula_sum '[Ac4 Ag8 Pd12]'
_cell_volume [521.2431]
_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  4  0.0000  0.0000  0.1436  1
  Ag  Ag1  4  0.0000  0.0000  0.4001  1
  Ag  Ag2  4  0.0000  0.5000  0.2500  1
  Pd  Pd3  8  0.0000  0.5000  0.0435  1
  Pd  Pd4  4  0.0000  0.0000  0.3122  1
]