data_HfAlBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.56
_cell_length_c   3.25
_cell_angle_alpha   84.37
_cell_angle_beta   74.23
_cell_angle_gamma   21.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlBr
_chemical_formula_sum   'Hf1 Al1 Br1'
_cell_volume   77.48
_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  Hf2  1  0.65  0.79  0.55  1.0
  Al  Al0  1  0.65  0.79  0.23  1.0
  Br  Br1  1  0.65  0.79  0.82  1.0

data_HfAlBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.3
_cell_length_b   16.79
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   120.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAlBr
_chemical_formula_sum   'Hf2 Al2 Br2'
_cell_volume   154.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.05  0.5  0.2  1.0
  Al  Al1  2  0.23  0.0  0.88  1.0
  Br  Br2  2  0.32  0.5  0.47  1.0

Hf Al Br