data_[Hf2Tl2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0271]
_cell_length_b [7.5245]
_cell_length_c [6.9159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTlCl6]
_chemical_formula_sum '[Hf2 Tl2 Cl12]'
_cell_volume [516.8132]
_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  0.0000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl2  8  0.0780  0.2286  0.3034  1.0
  Cl  Cl3  4  0.2248  0.0000  0.0683  1.0
]