data_[Hf2Ge2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4186]
_cell_length_b [12.6120]
_cell_length_c [6.4168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfGeCl6]
_chemical_formula_sum '[Hf2 Ge2 Cl12]'
_cell_volume [496.9137]
_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
  Ge  Ge1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.2320  0.3639  0.7333  1
  Cl  Cl3  4  0.2389  0.5000  0.2635  1
]