data_[Fe4Ag2Hg2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [8.8991]
_cell_length_b [8.8991]
_cell_length_c [8.2623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Fe2AgHgCl8]
_chemical_formula_sum '[Fe4 Ag2 Hg2 Cl16]'
_cell_volume [654.3293]
_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
[
  Fe  Fe0  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  2  0.0000  0.5000  0.2500  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.7500  1.0
  Cl  Cl4  8  0.0000  0.1925  0.6689  1.0
  Cl  Cl5  8  0.0000  0.3053  0.0814  1.0
]