[CIF]
data_LiFeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83945219
_cell_length_b   4.83945219
_cell_length_c   3.36790485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeBr2
_chemical_formula_sum   'Li1 Fe1 Br2'
_cell_volume   78.87733354
_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
  Br  Br0  1  0.00000000  2.41972610  1.68395243  1
  Br  Br1  1  2.41972610  0.00000000  1.68395243  1
  Fe  Fe2  1  2.41972610  2.41972610  0.00000000  1
  Li  Li3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
