data_[Ac12Hg12Pd8]
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 [Cmcm]
_cell_length_a [4.3121]
_cell_length_b [11.4989]
_cell_length_c [18.3308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3Hg3Pd2]
_chemical_formula_sum '[Ac12 Hg12 Pd8]'
_cell_volume [908.9244]
_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  8  0.0000  0.0719  0.6038  1
  Ac  Ac1  4  0.0000  0.3351  0.7500  1
  Hg  Hg2  8  0.0000  0.3581  0.5352  1
  Hg  Hg3  4  0.0000  0.3852  0.2500  1
  Pd  Pd4  8  0.0000  0.2258  0.1246  1
]