data_[Hg2Pd2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.5594]
_cell_length_b [4.7910]
_cell_length_c [7.6654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HgPdS]
_chemical_formula_sum '[Hg2 Pd2 S2]'
_cell_volume [130.5882]
_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  1  0.4781  0.0000  0.2086  1
  Hg  Hg1  1  0.7271  0.0000  0.8616  1
  Pd  Pd2  1  0.1854  0.0000  0.5744  1
  Pd  Pd3  1  0.6482  0.5000  0.3917  1
  S  S4  1  0.1161  0.5000  0.1760  1
  S  S5  1  0.1670  0.5000  0.5943  1
]