data_[Ac4Al1Pd3]
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 [Pmm2]
_cell_length_a [4.2525]
_cell_length_b [4.6504]
_cell_length_c [11.9422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ac4AlPd3]
_chemical_formula_sum '[Ac4 Al1 Pd3]'
_cell_volume [236.1650]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1438  1
  Ac  Ac1  1  0.0000  0.5000  0.8547  1
  Ac  Ac2  1  0.5000  0.0000  0.6308  1
  Ac  Ac3  1  0.5000  0.5000  0.3683  1
  Al  Al4  1  0.5000  0.5000  0.0645  1
  Pd  Pd5  1  0.0000  0.0000  0.4205  1
  Pd  Pd6  1  0.0000  0.5000  0.5848  1
  Pd  Pd7  1  0.5000  0.0000  0.9325  1
]