data_[Ac8Tl20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6796]
_cell_length_b [27.9258]
_cell_length_c [7.9046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2Tl5Pd3]
_chemical_formula_sum '[Ac8 Tl20 Pd12]'
_cell_volume [1032.9882]
_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  0.1769  0.1972  1
  Ac  Ac1  4  0.0000  0.4739  0.2884  1
  Tl  Tl2  4  0.0000  0.0533  0.1206  1
  Tl  Tl3  4  0.0000  0.1267  0.7456  1
  Tl  Tl4  4  0.0000  0.2917  0.9954  1
  Tl  Tl5  4  0.0000  0.2949  0.3925  1
  Tl  Tl6  4  0.0000  0.4030  0.9049  1
  Pd  Pd7  4  0.0000  0.0435  0.5008  1
  Pd  Pd8  4  0.0000  0.2310  0.6904  1
  Pd  Pd9  4  0.0000  0.3900  0.5291  1
]