data_[Ba8Al6Pd4]
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 [C2/m]
_cell_length_a [17.7819]
_cell_length_b [4.2349]
_cell_length_c [8.0059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4Al3Pd2]
_chemical_formula_sum '[Ba8 Al6 Pd4]'
_cell_volume [572.5834]
_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
[
  Ba  Ba0  4  0.0791  0.5000  0.8977  1
  Ba  Ba1  4  0.2343  0.0000  0.6939  1
  Al  Al2  4  0.0938  0.0000  0.2812  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  4  0.0792  0.5000  0.4517  1
]