data_[Ca8Al4Zn4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [Ibam]
_cell_length_a [5.9777]
_cell_length_b [14.2966]
_cell_length_c [6.0290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ca2AlZnPd2]
_chemical_formula_sum '[Ca8 Al4 Zn4 Pd8]'
_cell_volume [515.2478]
_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
[
  Ca  Ca0  8  0.2397  0.8286  0.0000  1
  Al  Al1  4  0.0000  0.5000  0.2500  1
  Zn  Zn2  4  0.0000  0.0000  0.2500  1
  Pd  Pd3  8  0.2345  0.6041  0.0000  1
]