# generated using pymatgen
data_LiFe2P2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16969996
_cell_length_b   8.48737162
_cell_length_c   8.76707421
_cell_angle_alpha   94.00748179
_cell_angle_beta   97.20858850
_cell_angle_gamma   106.44626429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2P2HO8
_chemical_formula_sum   'Li2 Fe4 P4 H2 O16'
_cell_volume   363.76648635
_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  0.35987500  0.16395300  0.65888300  1
  Li  Li1  1  0.64026900  0.83600600  0.34103400  1
  Fe  Fe2  1  0.76797500  0.90568200  0.72660900  1
  Fe  Fe3  1  0.69948100  0.38375200  0.10069900  1
  Fe  Fe4  1  0.23197400  0.09421000  0.27354200  1
  Fe  Fe5  1  0.30053800  0.61641100  0.89926200  1
  P  P6  1  0.85218500  0.24234100  0.43112300  1
  P  P7  1  0.14780300  0.75752700  0.56884100  1
  P  P8  1  0.14137700  0.24176200  0.93195500  1
  P  P9  1  0.85865700  0.75838500  0.06809100  1
  H  H10  1  0.88389000  0.42706900  0.62659600  1
  H  H11  1  0.11605400  0.57275200  0.37337600  1
  O  O12  1  0.60741700  0.09001600  0.36624100  1
  O  O13  1  0.39261600  0.90982800  0.63375200  1
  O  O14  1  0.09875600  0.08684700  0.81687400  1
  O  O15  1  0.90113800  0.91341100  0.18305100  1
  O  O16  1  0.86912800  0.27047400  0.95564700  1
  O  O17  1  0.13091600  0.72969800  0.04437500  1
  O  O18  1  0.76991500  0.30990200  0.58819200  1
  O  O19  1  0.23005600  0.68991400  0.41178800  1
  O  O20  1  0.11322000  0.18938300  0.46904300  1
  O  O21  1  0.88683000  0.81056800  0.53091900  1
  O  O22  1  0.89762300  0.38028200  0.32296900  1
  O  O23  1  0.10226700  0.61959900  0.67700300  1
  O  O24  1  0.30674000  0.22544300  0.09071000  1
  O  O25  1  0.69323100  0.77461900  0.90929800  1
  O  O26  1  0.33480200  0.38694800  0.86414400  1
  O  O27  1  0.66526600  0.61321800  0.13598400  1
