data_Hf2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2WBr
_chemical_formula_sum   'Hf2 W1 Br1'
_cell_volume   89.41
_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  Hf1  1  0.72  0.0  0.21  1.0
  Hf  Hf2  1  0.0  0.0  0.68  1.0
  W  W3  1  0.72  0.0  0.6  1.0
  Br  Br0  1  0.0  0.0  0.07  1.0

data_Hf2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   10.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2WBr
_chemical_formula_sum   'Hf2 W1 Br1'
_cell_volume   89.41
_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  0.0  0.68  1.0
  Hf  Hf1  1  0.72  0.0  0.21  1.0
  W  W2  1  0.72  0.0  0.6  1.0
  Br  Br3  1  0.0  0.0  0.07  1.0

Hf Hf W Br