# generated using pymatgen
data_LiFeBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90558523
_cell_length_b   7.47105062
_cell_length_c   13.58399678
_cell_angle_alpha   87.16926511
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeBr4
_chemical_formula_sum   'Li4 Fe4 Br16'
_cell_volume   699.97009303
_cell_formula_units_Z   4
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  0.48710422  0.85745298  0.87473165  1
  Li  Li1  1  0.51289578  0.14254702  0.12526835  1
  Li  Li2  1  0.98710422  0.14254702  0.62526835  1
  Li  Li3  1  0.01289578  0.85745298  0.37473165  1
  Fe  Fe4  1  0.17569278  0.70661767  0.60042163  1
  Fe  Fe5  1  0.82430722  0.29338233  0.39957837  1
  Fe  Fe6  1  0.67569278  0.29338233  0.89957837  1
  Fe  Fe7  1  0.32430722  0.70661767  0.10042163  1
  Br  Br8  1  0.17421062  0.43398881  0.69058858  1
  Br  Br9  1  0.82578938  0.56601119  0.30941142  1
  Br  Br10  1  0.67421062  0.56601119  0.80941142  1
  Br  Br11  1  0.32578938  0.43398881  0.19058858  1
  Br  Br12  1  0.31880631  0.93708176  0.68955985  1
  Br  Br13  1  0.68119369  0.06291824  0.31044015  1
  Br  Br14  1  0.81880631  0.06291824  0.81044015  1
  Br  Br15  1  0.18119369  0.93708176  0.18955985  1
  Br  Br16  1  0.17529097  0.69015866  0.94696555  1
  Br  Br17  1  0.82470903  0.30984134  0.05303445  1
  Br  Br18  1  0.67529097  0.30984134  0.55303445  1
  Br  Br19  1  0.32470903  0.69015866  0.44696555  1
  Br  Br20  1  0.85801507  0.81086680  0.56496375  1
  Br  Br21  1  0.14198493  0.18913320  0.43503625  1
  Br  Br22  1  0.35801507  0.18913320  0.93503625  1
  Br  Br23  1  0.64198493  0.81086680  0.06496375  1
