# generated using pymatgen
data_LiFeP2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94773826
_cell_length_b   8.06809500
_cell_length_c   7.54395609
_cell_angle_alpha   90.00000000
_cell_angle_beta   104.69514971
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2HO8
_chemical_formula_sum   'Li2 Fe2 P4 H2 O16'
_cell_volume   291.29513060
_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  0.09962800  0.37022700  0.65205600  1
  Li  Li1  1  0.40037200  0.87022700  0.84794400  1
  Fe  Fe2  1  0.50284500  0.49611900  0.00542300  1
  Fe  Fe3  1  0.99715500  0.99611900  0.49457700  1
  P  P4  1  0.12998100  0.34778500  0.26206400  1
  P  P5  1  0.37001900  0.84778500  0.23793600  1
  P  P6  1  0.62707900  0.15557500  0.75769200  1
  P  P7  1  0.87292100  0.65557500  0.74230800  1
  H  H8  1  0.54861100  0.51832800  0.51930600  1
  H  H9  1  0.95138900  0.01832800  0.98069400  1
  O  O10  1  0.12178100  0.54775000  0.84322200  1
  O  O11  1  0.04001400  0.17610000  0.31627600  1
  O  O12  1  0.16017200  0.83015500  0.35669500  1
  O  O13  1  0.25581000  0.43770200  0.44567500  1
  O  O14  1  0.37821900  0.04775000  0.65677800  1
  O  O15  1  0.52069400  0.32400100  0.80897900  1
  O  O16  1  0.24419000  0.93770200  0.05432500  1
  O  O17  1  0.33982800  0.33015500  0.14330500  1
  O  O18  1  0.65192600  0.67589200  0.85211200  1
  O  O19  1  0.74799800  0.05493700  0.94043200  1
  O  O20  1  0.45998600  0.67610000  0.18372400  1
  O  O21  1  0.62156600  0.95068400  0.34207700  1
  O  O22  1  0.75200200  0.55493700  0.55956800  1
  O  O23  1  0.84807400  0.17589200  0.64788800  1
  O  O24  1  0.97930600  0.82400100  0.69102100  1
  O  O25  1  0.87843400  0.45068400  0.15792300  1
