data_[Ac6Al14Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2366]
_cell_length_b [4.4193]
_cell_length_c [10.0072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Al7Pd4]
_chemical_formula_sum '[Ac6 Al14 Pd8]'
_cell_volume [594.8737]
_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  0.1947  0.5000  0.1901  1
  Ac  Ac1  2  0.0000  0.0000  0.5000  1
  Al  Al2  4  0.0007  0.5000  0.7918  1
  Al  Al3  4  0.1398  0.0000  0.9143  1
  Al  Al4  4  0.1816  0.5000  0.5164  1
  Al  Al5  2  0.0000  0.0000  0.0000  1
  Pd  Pd6  4  0.1188  0.0000  0.3419  1
  Pd  Pd7  4  0.1553  0.5000  0.7858  1
]