# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86713000
_cell_length_b   8.23462000
_cell_length_c   19.67569400
_cell_angle_alpha   90.00000000
_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   950.60333498
_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  0.60372000  0.26409700  0.98874500  1
  Li  Li1  1  0.33611700  0.75310700  0.17707200  1
  Li  Li2  1  0.68488200  0.25664500  0.15738600  1
  Li  Li3  1  0.18488200  0.75664500  0.34261400  1
  Li  Li4  1  0.83611700  0.25310700  0.32292800  1
  Li  Li5  1  0.10372000  0.76409700  0.51125500  1
  Li  Li6  1  0.60372000  0.23590300  0.48874500  1
  Li  Li7  1  0.33611700  0.74689300  0.67707200  1
  Li  Li8  1  0.68488200  0.24335500  0.65738600  1
  Li  Li9  1  0.18488200  0.74335500  0.84261400  1
  Li  Li10  1  0.83611700  0.24689300  0.82292800  1
  Li  Li11  1  0.10372000  0.73590300  0.01125500  1
  Fe  Fe12  1  0.78950300  0.99374200  0.07015400  1
  Fe  Fe13  1  0.14959200  0.45204500  0.09985400  1
  Fe  Fe14  1  0.78523800  0.55059600  0.23506200  1
  Fe  Fe15  1  0.28523800  0.05059600  0.26493800  1
  Fe  Fe16  1  0.64959200  0.95204500  0.40014600  1
  Fe  Fe17  1  0.28950300  0.49374200  0.42984600  1
  Fe  Fe18  1  0.78950300  0.50625800  0.57015400  1
  Fe  Fe19  1  0.14959200  0.04795500  0.59985400  1
  Fe  Fe20  1  0.78523800  0.94940400  0.73506200  1
  Fe  Fe21  1  0.28523800  0.44940400  0.76493800  1
  Fe  Fe22  1  0.64959200  0.54795500  0.90014600  1
  Fe  Fe23  1  0.28950300  0.00625800  0.92984600  1
  P  P24  1  0.66104400  0.58837100  0.07151500  1
  P  P25  1  0.28614500  0.08047600  0.09171500  1
  P  P26  1  0.77427500  0.92614400  0.24016800  1
  P  P27  1  0.27427500  0.42614400  0.25983200  1
  P  P28  1  0.78614500  0.58047600  0.40828500  1
  P  P29  1  0.16104400  0.08837100  0.42848500  1
  P  P30  1  0.66104400  0.91162900  0.57151500  1
  P  P31  1  0.28614500  0.41952400  0.59171500  1
  P  P32  1  0.77427500  0.57385600  0.74016800  1
  P  P33  1  0.27427500  0.07385600  0.75983200  1
  P  P34  1  0.78614500  0.91952400  0.90828500  1
  P  P35  1  0.16104400  0.41162900  0.92848500  1
  O  O36  1  0.64571500  0.49557600  0.00428300  1
  O  O37  1  0.24503600  0.95565600  0.03304600  1
  O  O38  1  0.51708600  0.17099300  0.07902600  1
  O  O39  1  0.08893000  0.20677400  0.09027300  1
  O  O40  1  0.80100800  0.74716000  0.06364000  1
  O  O41  1  0.41891300  0.62022600  0.10041800  1
  O  O42  1  0.79588000  0.48030200  0.12485800  1
  O  O43  1  0.29468600  0.98901900  0.16005200  1
  O  O44  1  0.79631800  0.02098800  0.17356800  1
  O  O45  1  0.14357500  0.53974000  0.20831800  1
  O  O46  1  0.50995300  0.37788700  0.23028300  1
  O  O47  1  0.12622500  0.26962000  0.26779700  1
  O  O48  1  0.62622500  0.76962000  0.23220300  1
  O  O49  1  0.00995300  0.87788700  0.26971700  1
  O  O50  1  0.64357500  0.03974000  0.29168200  1
  O  O51  1  0.29631800  0.52098800  0.32643200  1
  O  O52  1  0.79468600  0.48901900  0.33994800  1
  O  O53  1  0.29588000  0.98030200  0.37514200  1
  O  O54  1  0.91891300  0.12022600  0.39958200  1
  O  O55  1  0.30100800  0.24716000  0.43636000  1
  O  O56  1  0.58893000  0.70677400  0.40972700  1
  O  O57  1  0.01708600  0.67099300  0.42097400  1
  O  O58  1  0.74503600  0.45565600  0.46695400  1
  O  O59  1  0.14571500  0.99557600  0.49571700  1
  O  O60  1  0.64571500  0.00442400  0.50428300  1
  O  O61  1  0.24503600  0.54434400  0.53304600  1
  O  O62  1  0.51708600  0.32900700  0.57902600  1
  O  O63  1  0.08893000  0.29322600  0.59027300  1
  O  O64  1  0.80100800  0.75284000  0.56364000  1
  O  O65  1  0.41891300  0.87977400  0.60041800  1
  O  O66  1  0.79588000  0.01969800  0.62485800  1
  O  O67  1  0.29468600  0.51098100  0.66005200  1
  O  O68  1  0.79631800  0.47901200  0.67356800  1
  O  O69  1  0.14357500  0.96026000  0.70831800  1
  O  O70  1  0.50995300  0.12211300  0.73028300  1
  O  O71  1  0.12622500  0.23038000  0.76779700  1
  O  O72  1  0.62622500  0.73038000  0.73220300  1
  O  O73  1  0.00995300  0.62211300  0.76971700  1
  O  O74  1  0.64357500  0.46026000  0.79168200  1
  O  O75  1  0.29631800  0.97901200  0.82643200  1
  O  O76  1  0.79468600  0.01098100  0.83994800  1
  O  O77  1  0.29588000  0.51969800  0.87514200  1
  O  O78  1  0.91891300  0.37977400  0.89958200  1
  O  O79  1  0.30100800  0.25284000  0.93636000  1
  O  O80  1  0.58893000  0.79322600  0.90972700  1
  O  O81  1  0.01708600  0.82900700  0.92097400  1
  O  O82  1  0.74503600  0.04434400  0.96695400  1
  O  O83  1  0.14571500  0.50442400  0.99571700  1
