# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62009700
_cell_length_b   8.37811600
_cell_length_c   18.73264500
_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   882.04203671
_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  0.74497800  0.08390800  0.08263200  1
  Li  Li1  1  0.72953600  0.08708600  0.74915200  1
  Li  Li2  1  0.24497800  0.58390800  0.41736800  1
  Li  Li3  1  0.73192100  0.08617000  0.41568500  1
  Li  Li4  1  0.72953600  0.41291400  0.24915200  1
  Li  Li5  1  0.73192100  0.41383000  0.91568500  1
  Li  Li6  1  0.22953600  0.58708600  0.75084800  1
  Li  Li7  1  0.23192100  0.91383000  0.58431500  1
  Li  Li8  1  0.24497800  0.91609200  0.91736800  1
  Li  Li9  1  0.23192100  0.58617000  0.08431500  1
  Li  Li10  1  0.22953600  0.91291400  0.25084800  1
  Li  Li11  1  0.74497800  0.41609200  0.58263200  1
  Fe  Fe12  1  0.73616800  0.75122100  0.66655700  1
  Fe  Fe13  1  0.73616800  0.74877900  0.16655700  1
  Fe  Fe14  1  0.73670200  0.74792100  0.33326400  1
  Fe  Fe15  1  0.23670200  0.24792100  0.16673600  1
  Fe  Fe16  1  0.23670200  0.25207900  0.66673600  1
  Fe  Fe17  1  0.73482700  0.75094000  0.49979400  1
  Fe  Fe18  1  0.23616800  0.25122100  0.83344300  1
  Fe  Fe19  1  0.23482700  0.25094000  0.00020600  1
  Fe  Fe20  1  0.23482700  0.24906000  0.50020600  1
  Fe  Fe21  1  0.23616800  0.24877900  0.33344300  1
  Fe  Fe22  1  0.73670200  0.75207900  0.83326400  1
  Fe  Fe23  1  0.73482700  0.74906000  0.99979400  1
  P  P24  1  0.73780600  0.09798600  0.24964400  1
  P  P25  1  0.73780600  0.40201400  0.74964400  1
  P  P26  1  0.73624800  0.10030400  0.91640300  1
  P  P27  1  0.73624800  0.39969600  0.41640300  1
  P  P28  1  0.73389000  0.39890700  0.08272500  1
  P  P29  1  0.73389000  0.10109300  0.58272500  1
  P  P30  1  0.23389000  0.60109300  0.91727500  1
  P  P31  1  0.23624800  0.89969600  0.08359700  1
  P  P32  1  0.23780600  0.59798600  0.25035600  1
  P  P33  1  0.23389000  0.89890700  0.41727500  1
  P  P34  1  0.23624800  0.60030400  0.58359700  1
  P  P35  1  0.23780600  0.90201400  0.75035600  1
  O  O36  1  0.01551900  0.78711800  0.75025200  1
  O  O37  1  0.95824400  0.28505400  0.41675500  1
  O  O38  1  0.46150100  0.78903800  0.75005700  1
  O  O39  1  0.73336300  0.99764500  0.51463200  1
  O  O40  1  0.45824400  0.78505400  0.08324500  1
  O  O41  1  0.01130500  0.71478200  0.91684000  1
  O  O42  1  0.73336300  0.50235500  0.01463200  1
  O  O43  1  0.23616400  0.49395100  0.18260100  1
  O  O44  1  0.45824400  0.71494600  0.58324500  1
  O  O45  1  0.95824400  0.21494600  0.91675500  1
  O  O46  1  0.73683700  0.50197600  0.34812400  1
  O  O47  1  0.73599000  0.50321800  0.15046500  1
  O  O48  1  0.23787700  0.00529100  0.81837500  1
  O  O49  1  0.51130500  0.21478200  0.58316000  1
  O  O50  1  0.23683700  0.00197600  0.15187600  1
  O  O51  1  0.51130500  0.28521800  0.08316000  1
  O  O52  1  0.51551900  0.21288200  0.24974800  1
  O  O53  1  0.23599000  0.49678200  0.84953500  1
  O  O54  1  0.01130500  0.78521800  0.41684000  1
  O  O55  1  0.23787700  0.49470900  0.31837500  1
  O  O56  1  0.23336300  0.00235500  0.48536800  1
  O  O57  1  0.23336300  0.49764500  0.98536800  1
  O  O58  1  0.73599000  0.99678200  0.65046500  1
  O  O59  1  0.01229400  0.78636900  0.08336400  1
  O  O60  1  0.73546600  0.50459800  0.48388400  1
  O  O61  1  0.73787700  0.50529100  0.68162500  1
  O  O62  1  0.96150100  0.21096200  0.24994300  1
  O  O63  1  0.45719800  0.71504600  0.91709900  1
  O  O64  1  0.73546600  0.99540200  0.98388400  1
  O  O65  1  0.46150100  0.71096200  0.25005700  1
  O  O66  1  0.95719800  0.28495400  0.08290100  1
  O  O67  1  0.23599000  0.00321800  0.34953500  1
  O  O68  1  0.23616400  0.00604900  0.68260100  1
  O  O69  1  0.23546600  0.00459800  0.01611600  1
  O  O70  1  0.96150100  0.28903800  0.74994300  1
  O  O71  1  0.01229400  0.71363100  0.58336400  1
  O  O72  1  0.45719800  0.78495400  0.41709900  1
  O  O73  1  0.73616400  0.99395100  0.31739900  1
  O  O74  1  0.73683700  0.99802400  0.84812400  1
  O  O75  1  0.23683700  0.49802400  0.65187600  1
  O  O76  1  0.51551900  0.28711800  0.74974800  1
  O  O77  1  0.95719800  0.21504600  0.58290100  1
  O  O78  1  0.23546600  0.49540200  0.51611600  1
  O  O79  1  0.73616400  0.50604900  0.81739900  1
  O  O80  1  0.73787700  0.99470900  0.18162500  1
  O  O81  1  0.01551900  0.71288200  0.25025200  1
  O  O82  1  0.51229400  0.28636900  0.41663600  1
  O  O83  1  0.51229400  0.21363100  0.91663600  1
