data_[Hf1Se4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2254]
_cell_length_b [7.5741]
_cell_length_c [7.6494]
_cell_angle_alpha [105.9807]
_cell_angle_beta [97.3237]
_cell_angle_gamma [91.1780]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf(Se2Br3)2]
_chemical_formula_sum '[Hf1 Se4 Br6]'
_cell_volume [398.4798]
_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  1  0.0000  0.0000  0.0000  1.0
  Se  Se1  2  0.3081  0.3913  0.5236  1.0
  Se  Se2  2  0.4524  0.6885  0.6590  1.0
  Br  Br3  2  0.0959  0.6639  0.8435  1.0
  Br  Br4  2  0.2115  0.9917  0.3073  1.0
  Br  Br5  2  0.2796  0.1460  0.8983  1.0
]