# generated using pymatgen
data_Li4FeP6(H4O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97712200
_cell_length_b   7.48706536
_cell_length_c   8.58943721
_cell_angle_alpha   84.91560032
_cell_angle_beta   76.34997373
_cell_angle_gamma   86.03634038
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeP6(H4O11)2
_chemical_formula_sum   'Li4 Fe1 P6 H8 O22'
_cell_volume   433.76850050
_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  0.92743600  0.64839000  0.41875100  1
  Li  Li1  1  0.68371900  0.55373400  0.75876500  1
  Li  Li2  1  0.31628100  0.44626600  0.24123500  1
  Li  Li3  1  0.07256400  0.35161000  0.58124900  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  P  P5  1  0.77966400  0.97927900  0.69407300  1
  P  P6  1  0.55712200  0.78937000  0.16749300  1
  P  P7  1  0.34357900  0.70935700  0.49329600  1
  P  P8  1  0.65642100  0.29064300  0.50670400  1
  P  P9  1  0.44287800  0.21063000  0.83250700  1
  P  P10  1  0.22033600  0.02072100  0.30592700  1
  H  H11  1  0.26472200  0.76132900  0.81209500  1
  H  H12  1  0.27546700  0.73131700  0.99430900  1
  H  H13  1  0.97688600  0.61414300  0.12001100  1
  H  H14  1  0.03693300  0.58663800  0.81659600  1
  H  H15  1  0.96306700  0.41336200  0.18340400  1
  H  H16  1  0.02311400  0.38585700  0.87998900  1
  H  H17  1  0.72453300  0.26868300  0.00569100  1
  H  H18  1  0.73527800  0.23867100  0.18790500  1
  O  O19  1  0.43852200  0.98339400  0.18779900  1
  O  O20  1  0.24599200  0.91009700  0.47283600  1
  O  O21  1  0.80429700  0.78508000  0.66170900  1
  O  O22  1  0.06896800  0.93360500  0.24224100  1
  O  O23  1  0.76795700  0.82000200  0.08600900  1
  O  O24  1  0.18299100  0.77310200  0.92438400  1
  O  O25  1  0.54867900  0.72087900  0.35508600  1
  O  O26  1  0.39784700  0.68305000  0.65167000  1
  O  O27  1  0.44803200  0.65978400  0.09981700  1
  O  O28  1  0.98289100  0.47437200  0.80073000  1
  O  O29  1  0.21075700  0.57731500  0.45192800  1
  O  O30  1  0.78924300  0.42268500  0.54807200  1
  O  O31  1  0.01710900  0.52562800  0.19927000  1
  O  O32  1  0.55196800  0.34021600  0.90018300  1
  O  O33  1  0.60215300  0.31695000  0.34833000  1
  O  O34  1  0.45132100  0.27912100  0.64491400  1
  O  O35  1  0.81700900  0.22689800  0.07561600  1
  O  O36  1  0.23204300  0.17999800  0.91399100  1
  O  O37  1  0.93103200  0.06639500  0.75775900  1
  O  O38  1  0.19570300  0.21492000  0.33829100  1
  O  O39  1  0.75400800  0.08990300  0.52716400  1
  O  O40  1  0.56147800  0.01660600  0.81220100  1
