data_[Zn4Hg2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6130]
_cell_length_b [4.0547]
_cell_length_c [8.3892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2HgPd6]
_chemical_formula_sum '[Zn4 Hg2 Pd12]'
_cell_volume [283.9670]
_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  4  0.1845  0.5000  0.7413  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.0077  0.0000  0.8331  1.0
  Pd  Pd3  4  0.1631  0.5000  0.0520  1.0
  Pd  Pd4  4  0.1652  0.5000  0.3844  1.0
]