# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54813815
_cell_length_b   6.28578863
_cell_length_c   5.55054423
_cell_angle_alpha   76.19430402
_cell_angle_beta   62.65709366
_cell_angle_gamma   103.80233452
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li2 Fe2 P2 O8'
_cell_volume   152.77117078
_cell_formula_units_Z   2
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  0.43420300  0.25004800  0.43394900  1
  Li  Li1  1  0.18412300  0.74996900  0.18394400  1
  Fe  Fe2  1  0.81235600  0.24975200  0.81229300  1
  Fe  Fe3  1  0.56205400  0.75020600  0.56159000  1
  P  P4  1  0.12971000  0.25006900  0.12960600  1
  P  P5  1  0.87955500  0.74994300  0.87962500  1
  O  O6  1  0.80177100  0.09059100  0.24763600  1
  O  O7  1  0.31590000  0.10293200  0.13370400  1
  O  O8  1  0.73673000  0.60326900  0.21296300  1
  O  O9  1  0.83787100  0.59009000  0.71188900  1
  O  O10  1  0.13365100  0.39694600  0.31602900  1
  O  O11  1  0.24778500  0.40972600  0.80195800  1
  O  O12  1  0.71131200  0.90954500  0.83818600  1
  O  O13  1  0.21298000  0.89691300  0.73662800  1
