[CIF]
data_HfSi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05388158
_cell_length_b   5.05388158
_cell_length_c   5.37992178
_cell_angle_alpha   93.40658235
_cell_angle_beta   93.40658235
_cell_angle_gamma   41.68222767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2Br
_chemical_formula_sum   'Hf1 Si2 Br1'
_cell_volume   91.19421462
_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
  Br  Br0  1  0.00000000  0.00000000  0.00000000  1
  Hf  Hf1  1  4.55217850  -0.00000000  2.68451822  1
  Si  Si2  1  7.29015797  0.00000000  2.05963942  1
  Si  Si3  1  1.81419902  0.00000000  3.30939701  1
[/CIF]
