data_[Tl4Fe8Hg4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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/c]
_cell_length_a [15.8230]
_cell_length_b [14.1014]
_cell_length_c [6.0001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlFe2HgCl6]
_chemical_formula_sum '[Tl4 Fe8 Hg4 Cl24]'
_cell_volume [1337.0272]
_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
[
  Tl  Tl0  4  0.0000  0.2138  0.7500  1.0
  Fe  Fe1  8  0.2237  0.0818  0.1540  1.0
  Hg  Hg2  4  0.0000  0.4173  0.2500  1.0
  Cl  Cl3  8  0.1111  0.1636  0.2345  1.0
  Cl  Cl4  8  0.1497  0.3665  0.7448  1.0
  Cl  Cl5  8  0.2123  0.0753  0.7624  1.0
]