[CIF]
data_LiFeP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31076900
_cell_length_b   7.79189860
_cell_length_c   10.12000271
_cell_angle_alpha   83.80406918
_cell_angle_beta   74.28428668
_cell_angle_gamma   76.81672002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP3H8O13
_chemical_formula_sum   'Li2 Fe2 P6 H16 O26'
_cell_volume   539.65273937
_cell_formula_units_Z   2
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  9.41684758  6.54400948  7.42947805  1
  Li  Li1  1  2.41214342  1.52225452  2.30039495  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  2.25911100  4.03313200  4.86493650  1
  P  P4  1  5.88986500  6.47778481  7.24802564  1
  P  P5  1  4.51333311  6.33212139  4.64351378  1
  P  P6  1  7.13954348  3.81904099  7.09029467  1
  P  P7  1  4.68944752  4.24722301  2.63957833  1
  P  P8  1  7.31565789  1.73414261  5.08635922  1
  P  P9  1  5.93912600  1.58847919  2.48184736  1
  H  H10  1  7.03383189  7.79804702  9.34252676  1
  H  H11  1  8.58879511  6.43474499  4.18512973  1
  H  H12  1  4.09388449  6.61002865  0.98893456  1
  H  H13  1  8.63637220  5.71037145  1.99852564  1
  H  H14  1  7.37986835  5.48612374  3.87570031  1
  H  H15  1  7.41725810  4.96431187  0.07358703  1
  H  H16  1  5.88792532  4.71624372  0.04967100  1
  H  H17  1  2.10440987  4.94733165  0.84538975  1
  H  H18  1  9.72458113  3.11893235  8.88448325  1
  H  H19  1  5.94106568  3.35002028  9.68020200  1
  H  H20  1  4.41173290  3.10195213  9.65628597  1
  H  H21  1  4.44912265  2.58014026  5.85417269  1
  H  H22  1  3.19261880  2.35589255  7.73134736  1
  H  H23  1  7.73510651  1.45623535  8.74093844  1
  H  H24  1  3.24019589  1.63151901  5.54474327  1
  H  H25  1  4.79515911  0.26821698  0.38734624  1
  O  O26  1  7.19723702  7.05553340  7.67277352  1
  O  O27  1  3.87237717  7.45527670  0.50254794  1
  O  O28  1  4.16222778  7.45656256  3.75060333  1
  O  O29  1  5.69965076  6.79059367  5.65404866  1
  O  O30  1  4.62695839  6.88212661  7.96803625  1
  O  O31  1  8.79176977  5.69655434  1.01799769  1
  O  O32  1  8.34495064  5.60368217  3.72654136  1
  O  O33  1  9.43739299  5.10446883  9.21917143  1
  O  O34  1  8.34836738  4.51527962  6.51646568  1
  O  O35  1  3.44836290  5.60629896  5.44715264  1
  O  O36  1  5.36100076  5.17851992  3.81400319  1
  O  O37  1  5.91606275  4.85249317  7.27612552  1
  O  O38  1  4.55831244  5.02948427  1.37298238  1
  O  O39  1  7.27067856  3.03677973  8.35689062  1
  O  O40  1  5.91292825  3.21377083  2.45374748  1
  O  O41  1  6.46799024  2.88774408  5.91586981  1
  O  O42  1  8.38062810  2.45996504  4.28272036  1
  O  O43  1  3.48062362  3.55098438  3.21340732  1
  O  O44  1  2.39159801  2.96179517  0.51070157  1
  O  O45  1  3.48404036  2.46258183  6.00333164  1
  O  O46  1  3.03722123  2.36970966  8.71187531  1
  O  O47  1  7.20203261  1.18413739  1.76183675  1
  O  O48  1  6.12934024  1.27567033  4.07582434  1
  O  O49  1  7.66676322  0.60970144  5.97926967  1
  O  O50  1  7.95661383  0.61098730  9.22732506  1
  O  O51  1  4.63175398  1.01073060  2.05709948  1
[/CIF]
