data_HfW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.28
_cell_angle_alpha   108.58
_cell_angle_beta   108.58
_cell_angle_gamma   37.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW2Br
_chemical_formula_sum   'Hf1 W2 Br1'
_cell_volume   77.22
_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  0.92  0.0  0.44  1.0
  W  W2  1  0.38  0.0  0.24  1.0
  W  W3  1  0.96  0.0  0.93  1.0
  Br  Br0  1  0.51  0.0  0.85  1.0

data_HfW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.07
_cell_length_c   5.28
_cell_angle_alpha   108.58
_cell_angle_beta   90.0
_cell_angle_gamma   108.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW2Br
_chemical_formula_sum   'Hf1 W2 Br1'
_cell_volume   77.22
_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  0.08  0.56  1.0
  W  W1  1  0.0  0.04  0.07  1.0
  W  W2  1  0.0  0.62  0.76  1.0
  Br  Br3  1  0.0  0.49  0.15  1.0

Hf W W Br