data_[Hg4Bi12Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5993]
_cell_length_b [10.5928]
_cell_length_c [7.1886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(BiPd)3]
_chemical_formula_sum '[Hg4 Bi12 Pd12]'
_cell_volume [654.4120]
_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  0.2430  0.5000  0.1654  1.0
  Bi  Bi1  4  0.0000  0.1594  0.5000  1.0
  Bi  Bi2  4  0.0000  0.2315  0.0000  1.0
  Bi  Bi3  4  0.0895  0.5000  0.6982  1.0
  Pd  Pd4  8  0.2417  0.2657  0.7163  1.0
  Pd  Pd5  4  0.0842  0.0000  0.1847  1.0
]