# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04491200
_cell_length_b   8.75398600
_cell_length_c   17.57938580
_cell_angle_alpha   60.25080847
_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   1074.86404076
_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  0.33111300  0.50259700  0.74966300  1
  Li  Li1  1  0.66888700  0.49740300  0.25033700  1
  Li  Li2  1  0.16888700  0.50259700  0.24966300  1
  Li  Li3  1  0.83111300  0.49740300  0.75033700  1
  Li  Li4  1  0.96101700  0.79230100  0.44238600  1
  Li  Li5  1  0.45984100  0.14505100  0.59640200  1
  Li  Li6  1  0.46101700  0.20769900  0.05761400  1
  Li  Li7  1  0.53898300  0.79230100  0.94238600  1
  Li  Li8  1  0.04015900  0.14505100  0.09640200  1
  Li  Li9  1  0.54015900  0.85494900  0.40359800  1
  Li  Li10  1  0.95984200  0.85494900  0.90359800  1
  Li  Li11  1  0.03898300  0.20769900  0.55761400  1
  Fe  Fe12  1  0.21719300  0.81823200  0.27280100  1
  Fe  Fe13  1  0.22692700  0.54505200  0.07106700  1
  Fe  Fe14  1  0.71719300  0.18176800  0.22719900  1
  Fe  Fe15  1  0.73451100  0.86466800  0.09663500  1
  Fe  Fe16  1  0.27307300  0.54505200  0.57106700  1
  Fe  Fe17  1  0.76548900  0.86466800  0.59663500  1
  Fe  Fe18  1  0.72692700  0.45494800  0.42893300  1
  Fe  Fe19  1  0.78280700  0.18176800  0.72719900  1
  Fe  Fe20  1  0.28280700  0.81823200  0.77280100  1
  Fe  Fe21  1  0.77307300  0.45494800  0.92893300  1
  Fe  Fe22  1  0.23451100  0.13533200  0.40336500  1
  Fe  Fe23  1  0.26548900  0.13533200  0.90336500  1
  P  P24  1  0.82794500  0.81439300  0.27649700  1
  P  P25  1  0.66966800  0.54077300  0.57392200  1
  P  P26  1  0.33483300  0.85804700  0.09299600  1
  P  P27  1  0.16516700  0.85804700  0.59299600  1
  P  P28  1  0.66516700  0.14195300  0.90700400  1
  P  P29  1  0.32794500  0.18560700  0.22350300  1
  P  P30  1  0.83033200  0.54077300  0.07392200  1
  P  P31  1  0.16966800  0.45922700  0.92607800  1
  P  P32  1  0.67205500  0.81439300  0.77649700  1
  P  P33  1  0.17205500  0.18560700  0.72350300  1
  P  P34  1  0.83483300  0.14195300  0.40700400  1
  P  P35  1  0.33033200  0.45922700  0.42607800  1
  O  O36  1  0.29239300  0.08232800  0.69606900  1
  O  O37  1  0.24171800  0.73791900  0.18054500  1
  O  O38  1  0.62572100  0.24975700  0.95391100  1
  O  O39  1  0.00951000  0.22344600  0.66927500  1
  O  O40  1  0.50191100  0.07170700  0.88870700  1
  O  O41  1  0.75828200  0.26208100  0.81945500  1
  O  O42  1  0.78559400  0.58602100  0.49439700  1
  O  O43  1  0.74171800  0.26208100  0.31945500  1
  O  O44  1  0.13492400  0.66027500  0.87315500  1
  O  O45  1  0.75443100  0.60137000  0.63409400  1
  O  O46  1  0.99519900  0.64454800  0.03658100  1
  O  O47  1  0.49519900  0.35545200  0.46341900  1
  O  O48  1  0.86833600  0.92372400  0.17632200  1
  O  O49  1  0.00191100  0.92829300  0.61129300  1
  O  O50  1  0.99049000  0.77655400  0.33072500  1
  O  O51  1  0.25443100  0.39863000  0.86590600  1
  O  O52  1  0.99808900  0.07170700  0.38870700  1
  O  O53  1  0.36833600  0.07627600  0.32367800  1
  O  O54  1  0.36507600  0.66027500  0.37315500  1
  O  O55  1  0.72385600  0.97964400  0.46594900  1
  O  O56  1  0.37427900  0.75024300  0.04608900  1
  O  O57  1  0.71440600  0.58602100  0.99439700  1
  O  O58  1  0.74556900  0.60137000  0.13409400  1
  O  O59  1  0.74533000  0.63742700  0.29718000  1
  O  O60  1  0.49049000  0.22344600  0.16927500  1
  O  O61  1  0.20760700  0.08232800  0.19606900  1
  O  O62  1  0.28559400  0.41397900  0.00560300  1
  O  O63  1  0.49808900  0.92829300  0.11129300  1
  O  O64  1  0.87427900  0.24975700  0.45391100  1
  O  O65  1  0.75467000  0.63742700  0.79718000  1
  O  O66  1  0.22385600  0.02035600  0.03405100  1
  O  O67  1  0.63492400  0.33972500  0.62684500  1
  O  O68  1  0.50951000  0.77655400  0.83072500  1
  O  O69  1  0.25467000  0.36257300  0.70282000  1
  O  O70  1  0.77614400  0.97964400  0.96594900  1
  O  O71  1  0.13166400  0.07627600  0.82367800  1
  O  O72  1  0.12572100  0.75024300  0.54608900  1
  O  O73  1  0.70760700  0.91767200  0.30393100  1
  O  O74  1  0.24556900  0.39863000  0.36590600  1
  O  O75  1  0.79239300  0.91767200  0.80393100  1
  O  O76  1  0.21440600  0.41397900  0.50560300  1
  O  O77  1  0.86507600  0.33972500  0.12684500  1
  O  O78  1  0.00480100  0.35545200  0.96341900  1
  O  O79  1  0.24533000  0.36257300  0.20282000  1
  O  O80  1  0.25828200  0.73791900  0.68054500  1
  O  O81  1  0.63166400  0.92372400  0.67632200  1
  O  O82  1  0.27614400  0.02035600  0.53405100  1
  O  O83  1  0.50480100  0.64454800  0.53658100  1
