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 [P2/m]
_cell_length_a [5.6334]
_cell_length_b [3.5293]
_cell_length_c [7.1080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HgPdS]
_chemical_formula_sum '[Hg2 Pd2 S2]'
_cell_volume [137.4678]
_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  0.4406  0.5000  0.8029  1.0
  Pd  Pd1  1  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  1  0.5000  0.0000  0.5000  1.0
  S  S3  2  0.1014  0.0000  0.3062  1.0
]