data_[Ac36Sn18Pd6]
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 [R-3]
_cell_length_a [14.5742]
_cell_length_b [14.5742]
_cell_length_c [13.3828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac6Sn3Pd]
_chemical_formula_sum '[Ac36 Sn18 Pd6]'
_cell_volume [2461.7817]
_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  18  0.0336  0.8302  0.3923  1
  Ac  Ac1  18  0.0576  0.8573  0.8819  1
  Sn  Sn2  18  0.0503  0.7680  0.6452  1
  Pd  Pd3  3  0.0000  0.0000  0.0000  1
  Pd  Pd4  3  0.0000  0.0000  0.5000  1
]