data_[Hg4Ir4Pd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2432]
_cell_length_b [10.7384]
_cell_length_c [7.4817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2Ir2PdS6]
_chemical_formula_sum '[Hg4 Ir4 Pd2 S12]'
_cell_volume [470.6196]
_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  0.1779  0.0000  1.0
  Ir  Ir1  4  0.0000  0.3321  0.5000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2452  0.1732  0.6760  1.0
  S  S4  4  0.2383  0.5000  0.6723  1.0
]