data_[Hg4Pd40]
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 [C2/m]
_cell_length_a [8.7039]
_cell_length_b [3.8677]
_cell_length_c [31.3240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgPd10]
_chemical_formula_sum '[Hg4 Pd40]'
_cell_volume [1054.4789]
_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
[
  Hg  Hg0  4  0.1540  0.0000  0.6921  1
  Pd  Pd1  4  0.0486  0.0000  0.1871  1
  Pd  Pd2  4  0.0494  0.0000  0.8995  1
  Pd  Pd3  4  0.0509  0.5000  0.0432  1
  Pd  Pd4  4  0.0525  0.5000  0.7539  1
  Pd  Pd5  4  0.1462  0.0000  0.2748  1
  Pd  Pd6  4  0.1495  0.0000  0.9857  1
  Pd  Pd7  4  0.1497  0.5000  0.8416  1
  Pd  Pd8  4  0.1507  0.5000  0.1295  1
  Pd  Pd9  4  0.2476  0.5000  0.2162  1
  Pd  Pd10  4  0.2493  0.5000  0.9282  1
]