data_[Hf2S4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8161]
_cell_length_b [6.9270]
_cell_length_c [7.9573]
_cell_angle_alpha [69.5067]
_cell_angle_beta [69.8387]
_cell_angle_gamma [60.5658]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf(SBr)2]
_chemical_formula_sum '[Hf2 S4 Br4]'
_cell_volume [299.5599]
_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  0.1399  0.7195  0.0002  1.0
  S  S1  2  0.0507  0.0745  0.7268  1.0
  S  S2  2  0.2374  0.9724  0.1010  1.0
  Br  Br3  2  0.1649  0.4793  0.7810  1.0
  Br  Br4  2  0.4161  0.3593  0.2190  1.0
]