data_[Hg2Pd16Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8879]
_cell_length_b [4.1772]
_cell_length_c [6.5907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(Pd4Pb)2]
_chemical_formula_sum '[Hg2 Pd16 Pb4]'
_cell_volume [387.3966]
_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  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.0362  0.0000  0.7286  1.0
  Pd  Pd2  4  0.0882  0.5000  0.4591  1.0
  Pd  Pd3  4  0.1443  0.0000  0.2019  1.0
  Pd  Pd4  4  0.1736  0.5000  0.9151  1.0
  Pb  Pb5  4  0.2133  0.0000  0.6640  1.0
]