data_[Fe4Hg4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9642]
_cell_length_b [5.3892]
_cell_length_c [8.6277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeHgCl4]
_chemical_formula_sum '[Fe4 Hg4 Cl16]'
_cell_volume [707.1362]
_cell_formula_units_Z [4]
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  4  0.0877  0.0000  0.6524  1.0
  Hg  Hg1  4  0.2398  0.0000  0.1627  1.0
  Cl  Cl2  4  0.0652  0.0000  0.3759  1.0
  Cl  Cl3  4  0.1015  0.0000  0.9527  1.0
  Cl  Cl4  4  0.1041  0.5000  0.6805  1.0
  Cl  Cl5  4  0.2477  0.0000  0.7195  1.0
]