# generated using pymatgen
data_LiFePH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15687900
_cell_length_b   10.02267300
_cell_length_c   16.99323000
_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   878.30719033
_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  0.47440900  0.14853500  0.69463400  1
  Li  Li1  1  0.52559100  0.14853500  0.19463400  1
  Li  Li2  1  0.10621600  0.42054300  0.94538800  1
  Li  Li3  1  0.89378400  0.42054300  0.44538800  1
  Li  Li4  1  0.52559100  0.64853500  0.30536600  1
  Li  Li5  1  0.47440900  0.64853500  0.80536600  1
  Li  Li6  1  0.10621600  0.92054300  0.55461200  1
  Li  Li7  1  0.89378400  0.92054300  0.05461200  1
  Fe  Fe8  1  0.47463300  0.18207100  0.50253300  1
  Fe  Fe9  1  0.52536700  0.18207100  0.00253300  1
  Fe  Fe10  1  0.90376100  0.39602000  0.25163500  1
  Fe  Fe11  1  0.09623900  0.39602000  0.75163500  1
  Fe  Fe12  1  0.47463300  0.68207100  0.99746700  1
  Fe  Fe13  1  0.52536700  0.68207100  0.49746700  1
  Fe  Fe14  1  0.09623900  0.89602000  0.74836500  1
  Fe  Fe15  1  0.90376100  0.89602000  0.24836500  1
  P  P16  1  0.00783100  0.22917300  0.09414500  1
  P  P17  1  0.99216900  0.22917300  0.59414500  1
  P  P18  1  0.40730700  0.34092900  0.34324800  1
  P  P19  1  0.59269300  0.34092900  0.84324800  1
  P  P20  1  0.00783100  0.72917300  0.40585500  1
  P  P21  1  0.99216900  0.72917300  0.90585500  1
  P  P22  1  0.59269300  0.84092900  0.65675200  1
  P  P23  1  0.40730700  0.84092900  0.15675200  1
  H  H24  1  0.06752900  0.99370300  0.37890600  1
  H  H25  1  0.93247100  0.99370300  0.87890600  1
  H  H26  1  0.61039800  0.06600000  0.37657900  1
  H  H27  1  0.38960200  0.06600000  0.87657900  1
  H  H28  1  0.18109100  0.10204200  0.31572300  1
  H  H29  1  0.81890900  0.10204200  0.81572300  1
  H  H30  1  0.70854100  0.46014600  0.05909000  1
  H  H31  1  0.29145900  0.46014600  0.55909000  1
  H  H32  1  0.06752900  0.49370300  0.12109400  1
  H  H33  1  0.93247100  0.49370300  0.62109400  1
  H  H34  1  0.38960200  0.56600000  0.62342100  1
  H  H35  1  0.61039800  0.56600000  0.12342100  1
  H  H36  1  0.81890900  0.60204200  0.68427700  1
  H  H37  1  0.18109100  0.60204200  0.18427700  1
  H  H38  1  0.70854100  0.96014600  0.44091000  1
  H  H39  1  0.29145900  0.96014600  0.94091000  1
  O  O40  1  0.56664100  0.02537600  0.42759400  1
  O  O41  1  0.43335900  0.02537600  0.92759400  1
  O  O42  1  0.03466900  0.03773600  0.32755100  1
  O  O43  1  0.96533100  0.03773600  0.82755100  1
  O  O44  1  0.86427200  0.11686800  0.04715900  1
  O  O45  1  0.13572800  0.11686800  0.54715900  1
  O  O46  1  0.30084100  0.19645400  0.10135000  1
  O  O47  1  0.69915900  0.19645400  0.60135000  1
  O  O48  1  0.57562200  0.20421900  0.80106000  1
  O  O49  1  0.42437800  0.20421900  0.30106000  1
  O  O50  1  0.88211400  0.23642700  0.17755100  1
  O  O51  1  0.11788600  0.23642700  0.67755100  1
  O  O52  1  0.46385800  0.33306100  0.92644900  1
  O  O53  1  0.53614200  0.33306100  0.42644900  1
  O  O54  1  0.97032100  0.36337000  0.04949200  1
  O  O55  1  0.02967900  0.36337000  0.54949200  1
  O  O56  1  0.11778500  0.38210600  0.35137100  1
  O  O57  1  0.88221500  0.38210600  0.85137100  1
  O  O58  1  0.55518700  0.44963100  0.29485400  1
  O  O59  1  0.44481300  0.44963100  0.79485400  1
  O  O60  1  0.43335900  0.52537600  0.57240600  1
  O  O61  1  0.56664100  0.52537600  0.07240600  1
  O  O62  1  0.96533100  0.53773600  0.67244900  1
  O  O63  1  0.03466900  0.53773600  0.17244900  1
  O  O64  1  0.13572800  0.61686800  0.95284100  1
  O  O65  1  0.86427200  0.61686800  0.45284100  1
  O  O66  1  0.69915900  0.69645400  0.89865000  1
  O  O67  1  0.30084100  0.69645400  0.39865000  1
  O  O68  1  0.42437800  0.70421900  0.19894000  1
  O  O69  1  0.57562200  0.70421900  0.69894000  1
  O  O70  1  0.11788600  0.73642700  0.82244900  1
  O  O71  1  0.88211400  0.73642700  0.32244900  1
  O  O72  1  0.46385800  0.83306100  0.57355100  1
  O  O73  1  0.53614200  0.83306100  0.07355100  1
  O  O74  1  0.97032100  0.86337000  0.45050800  1
  O  O75  1  0.02967900  0.86337000  0.95050800  1
  O  O76  1  0.88221500  0.88210600  0.64862900  1
  O  O77  1  0.11778500  0.88210600  0.14862900  1
  O  O78  1  0.44481300  0.94963100  0.70514600  1
  O  O79  1  0.55518700  0.94963100  0.20514600  1
