# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.31200300
_cell_length_b   10.67160500
_cell_length_c   10.73715068
_cell_angle_alpha   61.17968237
_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   1236.00129046
_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  0.84702700  0.00000000  0.50000000  1
  Li  Li1  1  0.49241000  0.00000000  0.50000000  1
  Li  Li2  1  0.01414200  0.00000000  0.00000000  1
  Li  Li3  1  0.66770200  0.00000000  0.00000000  1
  Li  Li4  1  0.31860100  0.00000000  0.00000000  1
  Li  Li5  1  0.82373100  0.50000000  0.50000000  1
  Li  Li6  1  0.16010200  0.50000000  0.50000000  1
  Li  Li7  1  0.55528800  0.50000000  0.00000000  1
  Li  Li8  1  0.98602900  0.50000000  0.00000000  1
  Li  Li9  1  0.79236800  0.50000000  0.00000000  1
  Li  Li10  1  0.35978300  0.50000000  0.00000000  1
  Li  Li11  1  0.17695500  0.50000000  0.00000000  1
  Fe  Fe12  1  0.16555200  0.00413800  0.27024300  1
  Fe  Fe13  1  0.83106700  0.23919900  0.25314800  1
  Fe  Fe14  1  0.16555200  0.99586200  0.72975700  1
  Fe  Fe15  1  0.50134300  0.26601000  0.50576000  1
  Fe  Fe16  1  0.83394400  0.24436700  0.75490600  1
  Fe  Fe17  1  0.16606500  0.50532300  0.24947100  1
  Fe  Fe18  1  0.50136800  0.24126000  0.99227000  1
  Fe  Fe19  1  0.16606500  0.49467700  0.75052900  1
  Fe  Fe20  1  0.83394400  0.75563300  0.24509400  1
  Fe  Fe21  1  0.50134300  0.73399000  0.49424000  1
  Fe  Fe22  1  0.83106700  0.76080100  0.74685200  1
  Fe  Fe23  1  0.50136800  0.75874000  0.00773000  1
  P  P24  1  0.66288400  0.99623300  0.25773500  1
  P  P25  1  0.66288400  0.00376700  0.74226500  1
  P  P26  1  0.34502000  0.26839800  0.23489800  1
  P  P27  1  0.99246600  0.26025000  0.49873000  1
  P  P28  1  0.67267600  0.49296800  0.24813000  1
  P  P29  1  0.32316800  0.24329900  0.75443200  1
  P  P30  1  0.00018600  0.25792100  0.00173100  1
  P  P31  1  0.32316800  0.75670100  0.24556800  1
  P  P32  1  0.67267600  0.50703200  0.75187000  1
  P  P33  1  0.99246600  0.73975000  0.50127000  1
  P  P34  1  0.34502000  0.73160200  0.76510200  1
  P  P35  1  0.00018600  0.74207900  0.99826900  1
  O  O36  1  0.05247900  0.11696100  0.11095300  1
  O  O37  1  0.61816500  0.11099400  0.11045700  1
  O  O38  1  0.75479800  0.05582900  0.31500900  1
  O  O39  1  0.27361900  0.14834000  0.24524400  1
  O  O40  1  0.91013800  0.31933000  0.06144300  1
  O  O41  1  0.43108100  0.32316700  0.11049200  1
  O  O42  1  0.57318700  0.06437900  0.62760400  1
  O  O43  1  0.93067900  0.20141600  0.41028100  1
  O  O44  1  0.40251300  0.22048500  0.37771200  1
  O  O45  1  0.06042200  0.13738100  0.60804700  1
  O  O46  1  0.26662800  0.09839600  0.79962800  1
  O  O47  1  0.74372400  0.41692000  0.18308400  1
  O  O48  1  0.27152900  0.40971600  0.17608000  1
  O  O49  1  0.71183100  0.11272700  0.78468200  1
  O  O50  1  0.90839000  0.31726200  0.56643400  1
  O  O51  1  0.61429900  0.38190600  0.38072200  1
  O  O52  1  0.06781200  0.39088600  0.40634700  1
  O  O53  1  0.41228300  0.28342900  0.64365900  1
  O  O54  1  0.59234800  0.58235000  0.12472600  1
  O  O55  1  0.95465300  0.22213000  0.88863400  1
  O  O56  1  0.08284300  0.61207100  0.05931100  1
  O  O57  1  0.37187900  0.21780700  0.89937400  1
  O  O58  1  0.74686300  0.57976400  0.29373600  1
  O  O59  1  0.23802700  0.36804100  0.69196400  1
  O  O60  1  0.23802700  0.63195900  0.30803600  1
  O  O61  1  0.74686300  0.42023600  0.70626400  1
  O  O62  1  0.37187900  0.78219300  0.10062600  1
  O  O63  1  0.08284300  0.38792900  0.94068900  1
  O  O64  1  0.95465300  0.77787000  0.11136600  1
  O  O65  1  0.59234800  0.41765000  0.87527400  1
  O  O66  1  0.41228300  0.71657100  0.35634100  1
  O  O67  1  0.06781200  0.60911400  0.59365300  1
  O  O68  1  0.61429900  0.61809400  0.61927800  1
  O  O69  1  0.90839000  0.68273800  0.43356600  1
  O  O70  1  0.71183100  0.88727300  0.21531800  1
  O  O71  1  0.27152900  0.59028400  0.82392000  1
  O  O72  1  0.74372400  0.58308000  0.81691600  1
  O  O73  1  0.26662800  0.90160400  0.20037200  1
  O  O74  1  0.06042200  0.86261900  0.39195300  1
  O  O75  1  0.40251300  0.77951500  0.62228800  1
  O  O76  1  0.93067900  0.79858400  0.58971900  1
  O  O77  1  0.57318700  0.93562100  0.37239600  1
  O  O78  1  0.43108100  0.67683300  0.88950800  1
  O  O79  1  0.91013800  0.68067000  0.93855700  1
  O  O80  1  0.27361900  0.85166000  0.75475600  1
  O  O81  1  0.75479800  0.94417100  0.68499100  1
  O  O82  1  0.61816500  0.88900600  0.88954300  1
  O  O83  1  0.05247900  0.88303900  0.88904700  1
