data_[Ca8Zn2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [8.6668]
_cell_length_b [8.6668]
_cell_length_c [5.8047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Ca4ZnPd4]
_chemical_formula_sum '[Ca8 Zn2 Pd8]'
_cell_volume [436.0134]
_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
[
  Ca  Ca0  8  0.0656  0.2900  0.1388  1
  Zn  Zn1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  8  0.1137  0.2409  0.6423  1
]