# generated using pymatgen
data_Li2FePHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.60963000
_cell_length_b   5.56540400
_cell_length_c   8.32838871
_cell_angle_alpha   75.52750530
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePHO5
_chemical_formula_sum   'Li8 Fe4 P4 H4 O20'
_cell_volume   431.28048317
_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  0.83768000  0.26867200  0.31343700  1
  Li  Li1  1  0.17039900  0.33240200  0.41075700  1
  Li  Li2  1  0.66232000  0.76867200  0.31343700  1
  Li  Li3  1  0.32960100  0.83240200  0.41075700  1
  Li  Li4  1  0.67039900  0.16759800  0.58924300  1
  Li  Li5  1  0.33768000  0.23132800  0.68656300  1
  Li  Li6  1  0.82960100  0.66759800  0.58924300  1
  Li  Li7  1  0.16232000  0.73132800  0.68656300  1
  Fe  Fe8  1  0.13188500  0.21049600  0.01332400  1
  Fe  Fe9  1  0.36811500  0.71049600  0.01332400  1
  Fe  Fe10  1  0.63188500  0.28950400  0.98667600  1
  Fe  Fe11  1  0.86811500  0.78950400  0.98667600  1
  P  P12  1  0.47701000  0.36877900  0.31167300  1
  P  P13  1  0.02299000  0.86877900  0.31167300  1
  P  P14  1  0.97701000  0.13122100  0.68832700  1
  P  P15  1  0.52299000  0.63122100  0.68832700  1
  H  H16  1  0.37591600  0.15128200  0.02247800  1
  H  H17  1  0.12408400  0.65128200  0.02247800  1
  H  H18  1  0.87591600  0.34871800  0.97752200  1
  H  H19  1  0.62408400  0.84871800  0.97752200  1
  O  O20  1  0.81591800  0.42156600  0.04993500  1
  O  O21  1  0.68408200  0.92156600  0.04993500  1
  O  O22  1  0.47309800  0.27911600  0.14725600  1
  O  O23  1  0.08101200  0.14256300  0.26207800  1
  O  O24  1  0.02690200  0.77911600  0.14725600  1
  O  O25  1  0.41898800  0.64256300  0.26207800  1
  O  O26  1  0.63026700  0.37741600  0.36783000  1
  O  O27  1  0.37968000  0.20191400  0.43971000  1
  O  O28  1  0.86973300  0.87741600  0.36783000  1
  O  O29  1  0.12032000  0.70191400  0.43971000  1
  O  O30  1  0.87968000  0.29808600  0.56029000  1
  O  O31  1  0.13026700  0.12258400  0.63217000  1
  O  O32  1  0.62032000  0.79808600  0.56029000  1
  O  O33  1  0.36973300  0.62258400  0.63217000  1
  O  O34  1  0.58101200  0.35743700  0.73792200  1
  O  O35  1  0.97309800  0.22088400  0.85274400  1
  O  O36  1  0.91898800  0.85743700  0.73792200  1
  O  O37  1  0.52690200  0.72088400  0.85274400  1
  O  O38  1  0.31591800  0.07843400  0.95006500  1
  O  O39  1  0.18408200  0.57843400  0.95006500  1
