# generated using pymatgen
data_Li2FeBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76978624
_cell_length_b   6.76978624
_cell_length_c   3.80619800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.73212129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeBr4
_chemical_formula_sum   'Li2 Fe1 Br4'
_cell_volume   165.19815843
_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  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Br  Br3  1  0.23344400  0.23344400  0.50000000  1
  Br  Br4  1  0.76655600  0.76655600  0.50000000  1
  Br  Br5  1  0.75996500  0.24003500  0.00000000  1
  Br  Br6  1  0.24003500  0.75996500  0.00000000  1
