data_[Hg10Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2183]
_cell_length_b [7.6771]
_cell_length_c [12.8735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hg5Pd6]
_chemical_formula_sum '[Hg10 Pd12]'
_cell_volume [416.9025]
_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
[
  Hg  Hg0  4  0.0000  0.0000  0.3263  1
  Hg  Hg1  4  0.0000  0.5000  0.3547  1
  Hg  Hg2  2  0.0000  0.5000  0.0000  1
  Pd  Pd3  8  0.0000  0.2511  0.1667  1
  Pd  Pd4  4  0.0000  0.2375  0.5000  1
]