data_[Ac2Hg6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.0552]
_cell_length_b [9.0552]
_cell_length_c [4.5188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Ac(HgPd)3]
_chemical_formula_sum '[Ac2 Hg6 Pd6]'
_cell_volume [320.8875]
_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  2  0.3333  0.6667  0.7500  1
  Hg  Hg1  6  0.0385  0.2687  0.2500  1
  Pd  Pd2  6  0.0546  0.6041  0.2500  1
]