data_Li2HfBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   7.32
_cell_length_c   7.32
_cell_angle_alpha   26.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfBr
_chemical_formula_sum   'Li2 Hf1 Br1'
_cell_volume   78.2
_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
  Li  Li2  1  0.0  0.0  0.64  1.0
  Li  Li3  1  0.66  0.0  0.19  1.0
  Hf  Hf1  1  0.66  0.0  0.63  1.0
  Br  Br0  1  0.0  0.0  0.3  1.0

data_Li2HfBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.32
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   103.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfBr
_chemical_formula_sum   'Li2 Hf1 Br1'
_cell_volume   78.2
_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
  Li  Li0  1  0.36  0.0  0.36  1.0
  Li  Li1  1  0.81  0.66  0.81  1.0
  Hf  Hf2  1  0.37  0.66  0.37  1.0
  Br  Br3  1  0.7  0.0  0.7  1.0

Li Li Hf Br