data_[Ba4Al12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4390]
_cell_length_b [6.5971]
_cell_length_c [8.9675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaAl3Pd]
_chemical_formula_sum '[Ba4 Al12 Pd4]'
_cell_volume [474.2717]
_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
[
  Ba  Ba0  4  0.3515  0.0442  0.7871  1.0
  Al  Al1  4  0.0622  0.1523  0.4055  1.0
  Al  Al2  4  0.1490  0.5218  0.6301  1.0
  Al  Al3  4  0.3491  0.5430  0.9200  1.0
  Pd  Pd4  4  0.0751  0.7365  0.8842  1.0
]