# generated using pymatgen
data_LiFeHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46230889
_cell_length_b   7.34865834
_cell_length_c   9.51214263
_cell_angle_alpha   70.64558326
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeHSO5
_chemical_formula_sum   'Li4 Fe4 H4 S4 O20'
_cell_volume   360.24537258
_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  0.42585062  0.68075405  0.08105155  1
  Li  Li1  1  0.92585062  0.81924595  0.91894845  1
  Li  Li2  1  0.57414938  0.31924595  0.91894845  1
  Li  Li3  1  0.07414938  0.18075405  0.08105155  1
  Fe  Fe4  1  0.76291642  0.87184516  0.55522654  1
  Fe  Fe5  1  0.26291642  0.62815484  0.44477346  1
  Fe  Fe6  1  0.23708358  0.12815484  0.44477346  1
  Fe  Fe7  1  0.73708358  0.37184516  0.55522654  1
  H  H8  1  0.49646848  0.40746139  0.32733644  1
  H  H9  1  0.99646848  0.09253861  0.67266356  1
  H  H10  1  0.50353152  0.59253861  0.67266356  1
  H  H11  1  0.00353152  0.90746139  0.32733644  1
  S  S12  1  0.06767058  0.51035563  0.79104489  1
  S  S13  1  0.56767058  0.98964437  0.20895511  1
  S  S14  1  0.93232942  0.48964437  0.20895511  1
  S  S15  1  0.43232942  0.01035563  0.79104489  1
  O  O16  1  0.92426518  0.12578280  0.57303766  1
  O  O17  1  0.42426518  0.37421720  0.42696234  1
  O  O18  1  0.07573482  0.87421720  0.42696234  1
  O  O19  1  0.57573482  0.62578280  0.57303766  1
  O  O20  1  0.43528938  0.96303178  0.64984739  1
  O  O21  1  0.93528938  0.53696822  0.35015261  1
  O  O22  1  0.56471062  0.03696822  0.35015261  1
  O  O23  1  0.06471062  0.46303178  0.64984739  1
  O  O24  1  0.54893830  0.20117797  0.76187502  1
  O  O25  1  0.04893830  0.29882203  0.23812498  1
  O  O26  1  0.45106170  0.79882203  0.23812498  1
  O  O27  1  0.95106170  0.70117797  0.76187502  1
  O  O28  1  0.67886757  0.48518649  0.15928317  1
  O  O29  1  0.17886757  0.01481351  0.84071683  1
  O  O30  1  0.32113243  0.51481351  0.84071683  1
  O  O31  1  0.82113243  0.98518649  0.15928317  1
  O  O32  1  0.42674445  0.13594741  0.09415672  1
  O  O33  1  0.92674445  0.36405259  0.90584328  1
  O  O34  1  0.57325555  0.86405259  0.90584328  1
  O  O35  1  0.07325555  0.63594741  0.09415672  1
