data_[Zr8Al8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.4661]
_cell_length_b [5.3982]
_cell_length_c [9.1951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrAlPd]
_chemical_formula_sum '[Zr8 Al8 Pd8]'
_cell_volume [420.2353]
_cell_formula_units_Z [8]
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
[
  Zr  Zr0  4  0.1812  0.0000  0.6646  1.0
  Zr  Zr1  4  0.3018  0.0000  0.3327  1.0
  Al  Al2  4  0.2452  0.0000  0.9965  1.0
  Al  Al3  4  0.5000  0.2401  0.5888  1.0
  Pd  Pd4  4  0.0000  0.2466  0.4159  1.0
  Pd  Pd5  2  0.0000  0.0000  0.1683  1.0
  Pd  Pd6  2  0.5000  0.0000  0.8342  1.0
]