data_[Hg6Pd12Pb2]
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 [P2_1/m]
_cell_length_a [7.8614]
_cell_length_b [4.7901]
_cell_length_c [10.2956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hg3Pd6Pb]
_chemical_formula_sum '[Hg6 Pd12 Pb2]'
_cell_volume [358.5729]
_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  0.2431  0.2500  0.9737  1
  Hg  Hg1  2  0.3513  0.7500  0.8210  1
  Hg  Hg2  2  0.4811  0.2500  0.5954  1
  Pd  Pd3  2  0.0400  0.7500  0.9228  1
  Pd  Pd4  2  0.1387  0.7500  0.2173  1
  Pd  Pd5  2  0.1580  0.2500  0.6705  1
  Pd  Pd6  2  0.2393  0.7500  0.5240  1
  Pd  Pd7  2  0.3572  0.2500  0.2726  1
  Pd  Pd8  2  0.4335  0.7500  0.1137  1
  Pb  Pb9  2  0.0696  0.2500  0.3707  1
]