data_HfGaBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaBr2
_chemical_formula_sum   'Hf1 Ga1 Br2'
_cell_volume   92.56
_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  Hf3  1  0.2  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.6  0.81  0.65  1.0
  Br  Br1  1  0.6  0.19  0.65  1.0

data_HfGaBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   107.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaBr2
_chemical_formula_sum   'Hf1 Ga1 Br2'
_cell_volume   92.56
_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  0.0  0.2  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.65  0.6  0.19  1.0
  Br  Br3  1  0.65  0.6  0.81  1.0

Hf Ga Br Br