# generated using pymatgen
data_LiFePH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08747100
_cell_length_b   10.30561700
_cell_length_c   16.89628800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePH2O5
_chemical_formula_sum   'Li8 Fe8 P8 H16 O40'
_cell_volume   885.86439845
_cell_formula_units_Z   8
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  0.47066800  0.17558500  0.49593200  1
  Li  Li1  1  0.52933200  0.17558500  0.99593200  1
  Li  Li2  1  0.91172500  0.39569500  0.24729400  1
  Li  Li3  1  0.08827500  0.39569500  0.74729400  1
  Li  Li4  1  0.47066800  0.67558500  0.00406800  1
  Li  Li5  1  0.52933200  0.67558500  0.50406800  1
  Li  Li6  1  0.08827500  0.89569500  0.75270600  1
  Li  Li7  1  0.91172500  0.89569500  0.25270600  1
  Fe  Fe8  1  0.45735800  0.14705400  0.68895000  1
  Fe  Fe9  1  0.54264200  0.14705400  0.18895000  1
  Fe  Fe10  1  0.11385600  0.42151100  0.94220100  1
  Fe  Fe11  1  0.88614400  0.42151100  0.44220100  1
  Fe  Fe12  1  0.54264200  0.64705400  0.31105000  1
  Fe  Fe13  1  0.45735800  0.64705400  0.81105000  1
  Fe  Fe14  1  0.11385600  0.92151100  0.55779900  1
  Fe  Fe15  1  0.88614400  0.92151100  0.05779900  1
  P  P16  1  0.01478400  0.22760600  0.09182900  1
  P  P17  1  0.98521600  0.22760600  0.59182900  1
  P  P18  1  0.41064100  0.34502800  0.34098300  1
  P  P19  1  0.58935900  0.34502800  0.84098300  1
  P  P20  1  0.01478400  0.72760600  0.40817100  1
  P  P21  1  0.98521600  0.72760600  0.90817100  1
  P  P22  1  0.58935900  0.84502800  0.65901700  1
  P  P23  1  0.41064100  0.84502800  0.15901700  1
  H  H24  1  0.09159100  0.00312400  0.37161100  1
  H  H25  1  0.90840900  0.00312400  0.87161100  1
  H  H26  1  0.63608600  0.05205700  0.38061000  1
  H  H27  1  0.36391400  0.05205700  0.88061000  1
  H  H28  1  0.13443900  0.11071900  0.30796200  1
  H  H29  1  0.86556100  0.11071900  0.80796200  1
  H  H30  1  0.62394900  0.44859800  0.05341900  1
  H  H31  1  0.37605100  0.44859800  0.55341900  1
  H  H32  1  0.09159100  0.50312400  0.12838900  1
  H  H33  1  0.90840900  0.50312400  0.62838900  1
  H  H34  1  0.36391400  0.55205700  0.61939000  1
  H  H35  1  0.63608600  0.55205700  0.11939000  1
  H  H36  1  0.86556100  0.61071900  0.69203800  1
  H  H37  1  0.13443900  0.61071900  0.19203800  1
  H  H38  1  0.62394900  0.94859800  0.44658100  1
  H  H39  1  0.37605100  0.94859800  0.94658100  1
  O  O40  1  0.52937700  0.02490800  0.42619400  1
  O  O41  1  0.47062300  0.02490800  0.92619400  1
  O  O42  1  0.01320400  0.03962300  0.32344300  1
  O  O43  1  0.98679600  0.03962300  0.82344300  1
  O  O44  1  0.86031800  0.11779500  0.04796600  1
  O  O45  1  0.13968200  0.11779500  0.54796600  1
  O  O46  1  0.31224200  0.19411700  0.09443800  1
  O  O47  1  0.68775800  0.19411700  0.59443800  1
  O  O48  1  0.57847100  0.21667900  0.79426900  1
  O  O49  1  0.42152900  0.21667900  0.29426900  1
  O  O50  1  0.89771300  0.24151800  0.17664000  1
  O  O51  1  0.10228700  0.24151800  0.67664000  1
  O  O52  1  0.46583100  0.32603400  0.92496900  1
  O  O53  1  0.53416900  0.32603400  0.42496900  1
  O  O54  1  0.96991500  0.35609600  0.04629300  1
  O  O55  1  0.03008500  0.35609600  0.54629300  1
  O  O56  1  0.12037400  0.38933400  0.34709400  1
  O  O57  1  0.87962600  0.38933400  0.84709400  1
  O  O58  1  0.57545900  0.45133000  0.29731100  1
  O  O59  1  0.42454100  0.45133000  0.79731100  1
  O  O60  1  0.47062300  0.52490800  0.57380600  1
  O  O61  1  0.52937700  0.52490800  0.07380600  1
  O  O62  1  0.98679600  0.53962300  0.67655700  1
  O  O63  1  0.01320400  0.53962300  0.17655700  1
  O  O64  1  0.13968200  0.61779500  0.95203400  1
  O  O65  1  0.86031800  0.61779500  0.45203400  1
  O  O66  1  0.68775800  0.69411700  0.90556200  1
  O  O67  1  0.31224200  0.69411700  0.40556200  1
  O  O68  1  0.42152900  0.71667900  0.20573100  1
  O  O69  1  0.57847100  0.71667900  0.70573100  1
  O  O70  1  0.10228700  0.74151800  0.82336000  1
  O  O71  1  0.89771300  0.74151800  0.32336000  1
  O  O72  1  0.46583100  0.82603400  0.57503100  1
  O  O73  1  0.53416900  0.82603400  0.07503100  1
  O  O74  1  0.96991500  0.85609600  0.45370700  1
  O  O75  1  0.03008500  0.85609600  0.95370700  1
  O  O76  1  0.87962600  0.88933400  0.65290600  1
  O  O77  1  0.12037400  0.88933400  0.15290600  1
  O  O78  1  0.42454100  0.95133000  0.70268900  1
  O  O79  1  0.57545900  0.95133000  0.20268900  1
