data_[Hg2Pd4Pt12]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6460]
_cell_length_b [2.8162]
_cell_length_c [8.4918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(PdPt3)2]
_chemical_formula_sum '[Hg2 Pd4 Pt12]'
_cell_volume [288.9394]
_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  0.0000  0.0000  1
  Pd  Pd1  4  0.0551  0.5000  0.7725  1
  Pt  Pt2  4  0.1098  0.0000  0.5497  1
  Pt  Pt3  4  0.1698  0.5000  0.3342  1
  Pt  Pt4  4  0.2257  0.0000  0.1127  1
]