data_[Hf2Cu4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5058]
_cell_length_b [10.7351]
_cell_length_c [6.1024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf(CuCl4)2]
_chemical_formula_sum '[Hf2 Cu4 Cl16]'
_cell_volume [660.7343]
_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
  Cu  Cu1  4  0.2028  0.0000  0.6750  1.0
  Cl  Cl2  8  0.0925  0.1635  0.8046  1.0
  Cl  Cl3  4  0.0784  0.5000  0.1763  1.0
  Cl  Cl4  4  0.2140  0.0000  0.3133  1.0
]