data_[Zr8Si4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3179]
_cell_length_b [5.7751]
_cell_length_c [6.9475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2SiPd2]
_chemical_formula_sum '[Zr8 Si4 Pd8]'
_cell_volume [354.3609]
_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
[
  Zr  Zr0  8  0.1634  0.1070  0.6454  1.0
  Si  Si1  4  0.0000  0.2661  0.2500  1.0
  Pd  Pd2  8  0.1138  0.3744  0.9658  1.0
]