data_[Ac6Tl4Pd6]
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 [Immm]
_cell_length_a [3.8364]
_cell_length_b [5.3860]
_cell_length_c [21.4736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3Tl2Pd3]
_chemical_formula_sum '[Ac6 Tl4 Pd6]'
_cell_volume [443.7125]
_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  4  0.0000  0.0000  0.3752  1
  Ac  Ac1  2  0.0000  0.5000  0.5000  1
  Tl  Tl2  4  0.0000  0.5000  0.2699  1
  Pd  Pd3  4  0.0000  0.0000  0.1192  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
]