data_[Ac12In36Hg6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1248]
_cell_length_b [7.1248]
_cell_length_c [39.0250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2In6HgPd]
_chemical_formula_sum '[Ac12 In36 Hg6 Pd6]'
_cell_volume [1715.5976]
_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  6  0.0000  0.0000  0.1062  1
  Ac  Ac1  6  0.0000  0.0000  0.2804  1
  In  In2  18  0.0450  0.5225  0.3007  1
  In  In3  18  0.0602  0.5301  0.8637  1
  Hg  Hg4  6  0.0000  0.0000  0.4266  1
  Pd  Pd5  3  -0.0000  -0.0000  0.5000  1
  Pd  Pd6  3  0.0000  0.0000  0.0000  1
]