# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.65159487
_cell_length_b   10.65159487
_cell_length_c   12.70458500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000541
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li12 Fe12 P12 O48'
_cell_volume   1248.30402534
_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  0.00000000  0.50000000  0.00749100  1
  Li  Li1  1  0.00000000  0.50000000  0.65917600  1
  Li  Li2  1  0.00000000  0.50000000  0.33333300  1
  Li  Li3  1  0.00000000  0.00000000  0.16666700  1
  Li  Li4  1  0.00000000  0.00000000  0.50000000  1
  Li  Li5  1  0.00000000  0.00000000  0.83333300  1
  Li  Li6  1  0.50000000  0.50000000  0.34082400  1
  Li  Li7  1  0.50000000  0.50000000  0.66666700  1
  Li  Li8  1  0.50000000  0.50000000  0.99250900  1
  Li  Li9  1  0.50000000  0.00000000  0.32584200  1
  Li  Li10  1  0.50000000  0.00000000  0.00000000  1
  Li  Li11  1  0.50000000  0.00000000  0.67415800  1
  Fe  Fe12  1  0.00000000  0.74738800  0.83333300  1
  Fe  Fe13  1  0.00000000  0.25261200  0.83333300  1
  Fe  Fe14  1  0.24781200  0.75218800  0.16666700  1
  Fe  Fe15  1  0.24781200  0.49562400  0.50000000  1
  Fe  Fe16  1  0.50437600  0.75218800  0.83333300  1
  Fe  Fe17  1  0.25261200  0.25261200  0.16666700  1
  Fe  Fe18  1  0.25261200  0.00000000  0.50000000  1
  Fe  Fe19  1  0.74738800  0.74738800  0.16666700  1
  Fe  Fe20  1  0.49562400  0.24781200  0.83333300  1
  Fe  Fe21  1  0.75218800  0.50437600  0.50000000  1
  Fe  Fe22  1  0.75218800  0.24781200  0.16666700  1
  Fe  Fe23  1  0.74738800  0.00000000  0.50000000  1
  P  P24  1  0.00000000  0.75682300  0.33333300  1
  P  P25  1  0.24785400  0.75214600  0.66666700  1
  P  P26  1  0.00000000  0.24317700  0.33333300  1
  P  P27  1  0.24785400  0.49570700  0.00000000  1
  P  P28  1  0.24317700  0.24317700  0.66666700  1
  P  P29  1  0.50429300  0.75214600  0.33333300  1
  P  P30  1  0.24317700  0.00000000  0.00000000  1
  P  P31  1  0.49570700  0.24785400  0.33333300  1
  P  P32  1  0.75682300  0.75682300  0.66666700  1
  P  P33  1  0.75214600  0.50429300  0.00000000  1
  P  P34  1  0.75214600  0.24785400  0.66666700  1
  P  P35  1  0.75682300  0.00000000  0.00000000  1
  O  O36  1  0.06560000  0.87614700  0.41951500  1
  O  O37  1  0.12385300  0.93440000  0.91381800  1
  O  O38  1  0.10443000  0.69981000  0.72854500  1
  O  O39  1  0.11137300  0.71914700  0.28404900  1
  O  O40  1  0.28085300  0.88862700  0.04928400  1
  O  O41  1  0.30019000  0.89557000  0.60478900  1
  O  O42  1  0.20452100  0.62088600  0.59289100  1
  O  O43  1  0.10443000  0.40462100  0.93812200  1
  O  O44  1  0.20452100  0.58363500  0.07377600  1
  O  O45  1  0.11137300  0.39222600  0.38261700  1
  O  O46  1  0.06560000  0.18945300  0.24715200  1
  O  O47  1  0.37911400  0.79547900  0.74044200  1
  O  O48  1  0.41636500  0.79547900  0.25955800  1
  O  O49  1  0.12385300  0.18945300  0.75284800  1
  O  O50  1  0.28085300  0.39222600  0.61738300  1
  O  O51  1  0.37911400  0.58363500  0.92622400  1
  O  O52  1  0.30019000  0.40462100  0.06187800  1
  O  O53  1  0.41636500  0.62088600  0.40710900  1
  O  O54  1  0.18945300  0.12385300  0.58048500  1
  O  O55  1  0.18945300  0.06560000  0.08618200  1
  O  O56  1  0.59537900  0.89557000  0.39521100  1
  O  O57  1  0.60777400  0.88862700  0.95071600  1
  O  O58  1  0.60777400  0.71914700  0.71595100  1
  O  O59  1  0.40462100  0.30019000  0.27145500  1
  O  O60  1  0.59537900  0.69981000  0.27145500  1
  O  O61  1  0.39222600  0.28085300  0.71595100  1
  O  O62  1  0.39222600  0.11137300  0.95071600  1
  O  O63  1  0.40462100  0.10443000  0.39521100  1
  O  O64  1  0.81054700  0.93440000  0.08618200  1
  O  O65  1  0.81054700  0.87614700  0.58048500  1
  O  O66  1  0.58363500  0.37911400  0.40710900  1
  O  O67  1  0.69981000  0.59537900  0.06187800  1
  O  O68  1  0.62088600  0.41636500  0.92622400  1
  O  O69  1  0.71914700  0.60777400  0.61738300  1
  O  O70  1  0.87614700  0.81054700  0.75284800  1
  O  O71  1  0.58363500  0.20452100  0.25955800  1
  O  O72  1  0.62088600  0.20452100  0.74044200  1
  O  O73  1  0.93440000  0.81054700  0.24715200  1
  O  O74  1  0.88862700  0.60777400  0.38261700  1
  O  O75  1  0.79547900  0.41636500  0.07377600  1
  O  O76  1  0.89557000  0.59537900  0.93812200  1
  O  O77  1  0.79547900  0.37911400  0.59289100  1
  O  O78  1  0.69981000  0.10443000  0.60478900  1
  O  O79  1  0.71914700  0.11137300  0.04928400  1
  O  O80  1  0.88862700  0.28085300  0.28404900  1
  O  O81  1  0.89557000  0.30019000  0.72854500  1
  O  O82  1  0.87614700  0.06560000  0.91381800  1
  O  O83  1  0.93440000  0.12385300  0.41951500  1
