data_[Ac6Tl3P9Pd36]
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
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6122]
_cell_length_b [8.6122]
_cell_length_c [17.1864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Tl(PPd4)3]
_chemical_formula_sum '[Ac6 Tl3 P9 Pd36]'
_cell_volume [1103.9412]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3928  1
  Tl  Tl1  3  0.0000  0.0000  0.0000  1
  P  P2  9  0.0000  0.5000  0.5000  1
  Pd  Pd3  18  0.0178  0.5089  0.3683  1
  Pd  Pd4  18  0.0514  0.5257  0.8213  1
]