data_[Zn16Ir4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.9006]
_cell_length_b [10.3236]
_cell_length_c [4.1922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zn8Ir2Pd]
_chemical_formula_sum '[Zn16 Ir4 Pd2]'
_cell_volume [341.9211]
_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
[
  Zn  Zn0  8  0.1676  0.1360  0.0000  1.0
  Zn  Zn1  4  0.0000  0.2459  0.5000  1.0
  Zn  Zn2  4  0.1693  0.5000  0.5000  1.0
  Ir  Ir3  4  0.0000  0.3743  0.0000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.5000  1.0
]