data_[Na2Hf4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1639]
_cell_length_b [7.1445]
_cell_length_c [6.8614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaHf2Cl8]
_chemical_formula_sum '[Na2 Hf4 Cl16]'
_cell_volume [641.1761]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  4  0.2455  0.5000  0.5017  1.0
  Cl  Cl2  8  0.1367  0.2432  0.3216  1.0
  Cl  Cl3  4  0.1374  0.5000  0.7539  1.0
  Cl  Cl4  4  0.1503  0.0000  0.7696  1.0
]