data_[Ac16Sn6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.8390]
_cell_length_b [7.8390]
_cell_length_c [15.7653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ac8Sn3Pd]
_chemical_formula_sum '[Ac16 Sn6 Pd2]'
_cell_volume [968.7758]
_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  16  0.2406  0.2406  0.1195  1
  Sn  Sn1  4  0.0000  0.5000  0.2500  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
]