data_[Hf2Tl4Hg4Cl12]
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 [C2/m]
_cell_length_a [7.7572]
_cell_length_b [13.7333]
_cell_length_c [7.9622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTl2(HgCl3)2]
_chemical_formula_sum '[Hf2 Tl4 Hg4 Cl12]'
_cell_volume [848.0877]
_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  0.5000  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1676  0.5000  1.0
  Hg  Hg2  4  0.0000  0.1725  0.0000  1.0
  Cl  Cl3  8  0.1252  0.3724  0.3212  1.0
  Cl  Cl4  4  0.2337  0.0000  0.3243  1.0
]