data_[Hg4Pd2Pt4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4853]
_cell_length_b [11.2834]
_cell_length_c [8.9811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2Pd(PtSe3)2]
_chemical_formula_sum '[Hg4 Pd2 Pt4 Se12]'
_cell_volume [616.2217]
_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  4  0.0000  0.1914  0.0000  1.0
  Pd  Pd1  2  0.0000  0.0000  0.5000  1.0
  Pt  Pt2  4  0.0000  0.3332  0.5000  1.0
  Se  Se3  8  0.2427  0.1668  0.6562  1.0
  Se  Se4  4  0.2409  0.5000  0.6557  1.0
]