data_[Zr4Si12Pd12]
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 [Cmcm]
_cell_length_a [3.8337]
_cell_length_b [15.7258]
_cell_length_c [7.1406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr(SiPd)3]
_chemical_formula_sum '[Zr4 Si12 Pd12]'
_cell_volume [430.4975]
_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  4  0.0000  0.0103  0.2500  1.0
  Si  Si1  8  0.0000  0.4263  0.0313  1.0
  Si  Si2  4  0.0000  0.2618  0.2500  1.0
  Pd  Pd3  8  0.0000  0.1752  0.5532  1.0
  Pd  Pd4  4  0.0000  0.3403  0.7500  1.0
]