# generated using pymatgen
data_LiFePHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17902500
_cell_length_b   7.39502601
_cell_length_c   10.65120478
_cell_angle_alpha   104.24989949
_cell_angle_beta   96.72346972
_cell_angle_gamma   109.46248800
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePHO5
_chemical_formula_sum   'Li4 Fe4 P4 H4 O20'
_cell_volume   363.83275988
_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  0.45183400  0.39585200  0.19940400  1
  Li  Li1  1  0.95493500  0.92081000  0.69745300  1
  Li  Li2  1  0.04827800  0.10813600  0.30005800  1
  Li  Li3  1  0.55050100  0.60630800  0.80036900  1
  Fe  Fe4  1  0.49874400  0.00245400  0.49885000  1
  Fe  Fe5  1  0.50191900  0.50290000  0.50067800  1
  Fe  Fe6  1  0.99974400  0.00193800  0.99920200  1
  Fe  Fe7  1  0.00094300  0.50229100  0.00015400  1
  P  P8  1  0.50509300  0.95065400  0.18016000  1
  P  P9  1  0.00564100  0.44867500  0.68083500  1
  P  P10  1  0.99551100  0.55377900  0.31912200  1
  P  P11  1  0.49459500  0.05520400  0.81911900  1
  H  H12  1  0.82238900  0.81203900  0.46597800  1
  H  H13  1  0.67638500  0.69189500  0.03245900  1
  H  H14  1  0.32681600  0.31323100  0.96857100  1
  H  H15  1  0.17464400  0.19225600  0.53091100  1
  O  O16  1  0.28410500  0.04829800  0.16876900  1
  O  O17  1  0.78125500  0.54269100  0.66881600  1
  O  O18  1  0.18483100  0.30354500  0.02446700  1
  O  O19  1  0.37680300  0.72216400  0.10484100  1
  O  O20  1  0.63666800  0.99346900  0.32804500  1
  O  O21  1  0.68363200  0.80378100  0.52353000  1
  O  O22  1  0.87996000  0.21922800  0.60565200  1
  O  O23  1  0.13748600  0.49169900  0.82852900  1
  O  O24  1  0.75806100  0.05327800  0.12336100  1
  O  O25  1  0.74236400  0.45116100  0.37601400  1
  O  O26  1  0.25784900  0.55227000  0.62398000  1
  O  O27  1  0.24110300  0.95191100  0.87494400  1
  O  O28  1  0.86398200  0.51146400  0.17136600  1
  O  O29  1  0.12341000  0.78275000  0.39466900  1
  O  O30  1  0.31514000  0.20079900  0.47464000  1
  O  O31  1  0.36451000  0.01487200  0.67131300  1
  O  O32  1  0.62339600  0.28341700  0.89560700  1
  O  O33  1  0.81648800  0.70119500  0.97564600  1
  O  O34  1  0.21693900  0.45672700  0.33072700  1
  O  O35  1  0.71609600  0.95790700  0.82981200  1
