data_[Hf2Tl2Hg4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0734]
_cell_length_b [9.4859]
_cell_length_c [9.8845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HfTl(HgCl3)2]
_chemical_formula_sum '[Hf2 Tl2 Hg4 Cl12]'
_cell_volume [618.2769]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  2  0.5000  0.0000  0.0000  1
  Hg  Hg2  4  0.3388  0.0590  0.2351  1
  Cl  Cl3  4  0.0714  0.0458  0.7597  1
  Cl  Cl4  4  0.2118  0.7114  0.0617  1
  Cl  Cl5  4  0.3038  0.1396  0.5136  1
]