data_[Zr2Zn4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0966]
_cell_length_b [4.0757]
_cell_length_c [6.2995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr(ZnPd4)2]
_chemical_formula_sum '[Zr2 Zn4 Pd16]'
_cell_volume [344.3760]
_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
[
  Zr  Zr0  2  0.0000  0.5000  0.0000  1.0
  Zn  Zn1  4  0.2223  0.0000  0.6481  1.0
  Pd  Pd2  4  0.0438  0.0000  0.7274  1.0
  Pd  Pd3  4  0.0991  0.5000  0.4641  1.0
  Pd  Pd4  4  0.1434  0.0000  0.2001  1.0
  Pd  Pd5  4  0.1819  0.5000  0.9242  1.0
]