data_[Ca8Zn16Pd8]
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 [Pnma]
_cell_length_a [15.8800]
_cell_length_b [7.1031]
_cell_length_c [5.5197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaZn2Pd]
_chemical_formula_sum '[Ca8 Zn16 Pd8]'
_cell_volume [622.5984]
_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
[
  Ca  Ca0  4  0.1039  0.2500  0.7812  1
  Ca  Ca1  4  0.1425  0.7500  0.5400  1
  Zn  Zn2  8  0.0366  0.0615  0.2708  1
  Zn  Zn3  8  0.2122  0.5586  0.0635  1
  Pd  Pd4  4  0.0697  0.7500  0.0214  1
  Pd  Pd5  4  0.1831  0.2500  0.2965  1
]