data_[Zr8Zn4Pd8]
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 [Cmc2_1]
_cell_length_a [4.3784]
_cell_length_b [14.8483]
_cell_length_c [5.5311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Zr2ZnPd2]
_chemical_formula_sum '[Zr8 Zn4 Pd8]'
_cell_volume [359.5901]
_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  0.0080  0.2019  1
  Zr  Zr1  4  0.0000  0.2194  0.1442  1
  Zn  Zn2  4  0.0000  0.4050  0.9413  1
  Pd  Pd3  4  0.0000  0.1711  0.6288  1
  Pd  Pd4  4  0.0000  0.3919  0.4494  1
]