data_[Ac12Fe2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1552]
_cell_length_b [7.9107]
_cell_length_c [12.7189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac6FePd2]
_chemical_formula_sum '[Ac12 Fe2 Pd4]'
_cell_volume [618.4219]
_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  4  0.1157  0.6783  0.9355  1
  Ac  Ac1  4  0.2610  0.1877  0.9277  1
  Ac  Ac2  4  0.4080  0.5443  0.7554  1
  Fe  Fe3  2  0.5000  0.0000  0.5000  1
  Pd  Pd4  4  0.1751  0.6131  0.2333  1
]