data_[Al2Zn6Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4460]
_cell_length_b [4.4460]
_cell_length_c [11.6987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [AlZn3Pd4]
_chemical_formula_sum '[Al2 Zn6 Pd8]'
_cell_volume [231.2440]
_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
[
  Al  Al0  2  0.0000  0.0000  0.0000  1
  Zn  Zn1  4  0.0000  0.0000  0.2509  1
  Zn  Zn2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  8  0.0000  0.5000  0.1234  1
]