data_[Zr8Si16Pd12]
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 [Cmce]
_cell_length_a [5.4931]
_cell_length_b [14.4963]
_cell_length_c [7.1541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Zr2Si4Pd3]
_chemical_formula_sum '[Zr8 Si16 Pd12]'
_cell_volume [569.6736]
_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  0.0000  0.0986  0.5966  1.0
  Si  Si1  8  0.0000  0.1778  0.9706  1.0
  Si  Si2  8  0.2500  0.0609  0.2500  1.0
  Pd  Pd3  8  0.2500  0.2278  0.2500  1.0
  Pd  Pd4  4  0.0000  0.0000  0.0000  1.0
]