data_[Hf2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8535]
_cell_length_b [7.2691]
_cell_length_c [10.8443]
_cell_angle_alpha [76.4369]
_cell_angle_beta [76.8871]
_cell_angle_gamma [68.5740]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HfBr5]
_chemical_formula_sum '[Hf2 Br10]'
_cell_volume [482.9028]
_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  0.4759  0.9217  0.7030  1.0
  Br  Br1  2  0.1916  0.7526  0.7035  1.0
  Br  Br2  2  0.2227  0.9276  0.3086  1.0
  Br  Br3  2  0.2520  0.1195  0.8740  1.0
  Br  Br4  2  0.3033  0.2303  0.5210  1.0
  Br  Br5  2  0.3345  0.4126  0.1747  1.0
]