data_[Hf3Sb1Cl7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.3727]
_cell_length_b [7.3727]
_cell_length_c [18.6120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Hf3SbCl7]
_chemical_formula_sum '[Hf3 Sb1 Cl7]'
_cell_volume [876.1538]
_cell_formula_units_Z [1]
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  3  0.1823  0.3646  0.4988  1
  Sb  Sb1  1  0.3333  0.6667  0.3878  1
  Cl  Cl2  3  0.0117  0.5059  0.5819  1
  Cl  Cl3  3  0.3215  0.1608  0.4310  1
  Cl  Cl4  1  0.0000  0.0000  0.5773  1
]