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 [P1]
_cell_length_a [3.5000]
_cell_length_b [5.7953]
_cell_length_c [6.4205]
_cell_angle_alpha [84.5526]
_cell_angle_beta [75.6509]
_cell_angle_gamma [82.6185]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgPdS]
_chemical_formula_sum '[Hg2 Pd2 S2]'
_cell_volume [124.8515]
_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  0.2448  0.0040  0.4596  1.0
  Hg  Hg1  1  0.6121  0.9268  0.9672  1.0
  Pd  Pd2  1  0.5997  0.4174  0.0400  1.0
  Pd  Pd3  1  0.7496  0.6503  0.6109  1.0
  S  S4  1  0.2237  0.3846  0.7736  1.0
  S  S5  1  0.9775  0.4235  0.2978  1.0
]