data_[Ac6Ge6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.2169]
_cell_length_b [9.2169]
_cell_length_c [6.3408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Ac3Ge3Pd]
_chemical_formula_sum '[Ac6 Ge6 Pd2]'
_cell_volume [466.4888]
_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  6  0.0784  0.3712  0.7500  1
  Ge  Ge1  6  0.0817  0.3876  0.2500  1
  Pd  Pd2  2  0.3333  0.6667  0.2500  1
]