# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54978000
_cell_length_b   8.48817400
_cell_length_c   17.18912363
_cell_angle_alpha   60.80766343
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li12 Fe12 P12 O48'
_cell_volume   961.63495613
_cell_formula_units_Z   12
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  0.76103000  0.85691300  0.59289000  1
  Li  Li1  1  0.72809000  0.17972100  0.23110600  1
  Li  Li2  1  0.76878400  0.46628800  0.92328200  1
  Li  Li3  1  0.26878400  0.53371200  0.57671800  1
  Li  Li4  1  0.22809000  0.82027900  0.26889400  1
  Li  Li5  1  0.26103000  0.14308700  0.90711000  1
  Li  Li6  1  0.73897000  0.85691300  0.09289000  1
  Li  Li7  1  0.77191000  0.17972100  0.73110600  1
  Li  Li8  1  0.73121600  0.46628800  0.42328200  1
  Li  Li9  1  0.23121600  0.53371200  0.07671800  1
  Li  Li10  1  0.27191000  0.82027900  0.76889400  1
  Li  Li11  1  0.23897000  0.14308700  0.40711000  1
  Fe  Fe12  1  0.48363700  0.20606900  0.06558200  1
  Fe  Fe13  1  0.52623800  0.84782500  0.40909100  1
  Fe  Fe14  1  0.42266100  0.50708800  0.75281000  1
  Fe  Fe15  1  0.92266100  0.49291200  0.74719000  1
  Fe  Fe16  1  0.02623800  0.15217500  0.09090900  1
  Fe  Fe17  1  0.98363700  0.79393100  0.43441800  1
  Fe  Fe18  1  0.01636300  0.20606900  0.56558200  1
  Fe  Fe19  1  0.97376200  0.84782500  0.90909100  1
  Fe  Fe20  1  0.07733900  0.50708800  0.25281000  1
  Fe  Fe21  1  0.57733900  0.49291200  0.24719000  1
  Fe  Fe22  1  0.47376200  0.15217500  0.59090900  1
  Fe  Fe23  1  0.51636300  0.79393100  0.93441800  1
  P  P24  1  0.18003700  0.85745700  0.59076500  1
  P  P25  1  0.31885500  0.18591600  0.22949800  1
  P  P26  1  0.17647900  0.47076300  0.92533100  1
  P  P27  1  0.67647900  0.52923700  0.57466900  1
  P  P28  1  0.81885500  0.81408400  0.27050200  1
  P  P29  1  0.68003700  0.14254300  0.90923500  1
  P  P30  1  0.31996300  0.85745700  0.09076500  1
  P  P31  1  0.18114500  0.18591600  0.72949800  1
  P  P32  1  0.32352100  0.47076300  0.42533100  1
  P  P33  1  0.82352100  0.52923700  0.07466900  1
  P  P34  1  0.68114500  0.81408400  0.77050200  1
  P  P35  1  0.81996300  0.14254300  0.40923500  1
  O  O36  1  0.99429800  0.06846200  0.39023500  1
  O  O37  1  0.86155500  0.32513500  0.12346100  1
  O  O38  1  0.69329000  0.98392400  0.46554600  1
  O  O39  1  0.77668000  0.63540700  0.79153100  1
  O  O40  1  0.30332000  0.41636100  0.00626600  1
  O  O41  1  0.49592300  0.24432200  0.17543300  1
  O  O42  1  0.35972000  0.06961700  0.33002500  1
  O  O43  1  0.26276900  0.72506200  0.68350000  1
  O  O44  1  0.00278300  0.35975700  0.96122300  1
  O  O45  1  0.13375900  0.74864100  0.54224300  1
  O  O46  1  0.25750000  0.41263100  0.85916400  1
  O  O47  1  0.20863000  0.07951500  0.19439700  1
  O  O48  1  0.75750000  0.58736900  0.64083600  1
  O  O49  1  0.70863000  0.92048500  0.30560300  1
  O  O50  1  0.63375900  0.25135900  0.95775700  1
  O  O51  1  0.50278300  0.64024300  0.53877700  1
  O  O52  1  0.76276900  0.27493800  0.81650000  1
  O  O53  1  0.85972000  0.93038300  0.16997500  1
  O  O54  1  0.99592300  0.75567800  0.32456700  1
  O  O55  1  0.27668000  0.36459300  0.70846900  1
  O  O56  1  0.80332000  0.58363900  0.49373400  1
  O  O57  1  0.19329000  0.01607600  0.03445400  1
  O  O58  1  0.36155500  0.67486500  0.37653900  1
  O  O59  1  0.49429800  0.93153800  0.10976500  1
  O  O60  1  0.50570200  0.06846200  0.89023500  1
  O  O61  1  0.63844500  0.32513500  0.62346100  1
  O  O62  1  0.80671000  0.98392400  0.96554600  1
  O  O63  1  0.19668000  0.41636100  0.50626600  1
  O  O64  1  0.72332000  0.63540700  0.29153100  1
  O  O65  1  0.00407700  0.24432200  0.67543300  1
  O  O66  1  0.14028000  0.06961700  0.83002500  1
  O  O67  1  0.23723100  0.72506200  0.18350000  1
  O  O68  1  0.49721700  0.35975700  0.46122300  1
  O  O69  1  0.36624100  0.74864100  0.04224300  1
  O  O70  1  0.29137000  0.07951500  0.69439700  1
  O  O71  1  0.24250000  0.41263100  0.35916400  1
  O  O72  1  0.79137000  0.92048500  0.80560300  1
  O  O73  1  0.74250000  0.58736900  0.14083600  1
  O  O74  1  0.86624100  0.25135900  0.45775700  1
  O  O75  1  0.99721700  0.64024300  0.03877700  1
  O  O76  1  0.73723100  0.27493800  0.31650000  1
  O  O77  1  0.64028000  0.93038300  0.66997500  1
  O  O78  1  0.50407700  0.75567800  0.82456700  1
  O  O79  1  0.69668000  0.58363900  0.99373400  1
  O  O80  1  0.22332000  0.36459300  0.20846900  1
  O  O81  1  0.30671000  0.01607600  0.53445400  1
  O  O82  1  0.13844500  0.67486500  0.87653900  1
  O  O83  1  0.00570200  0.93153800  0.60976500  1
