# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88795481
_cell_length_b   7.48293782
_cell_length_c   9.25294020
_cell_angle_alpha   105.57923146
_cell_angle_beta   99.70004493
_cell_angle_gamma   98.14704387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   379.50612920
_cell_formula_units_Z   4
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  0.99651600  0.99111300  0.75097700  1
  Li  Li1  1  0.00357800  0.00901000  0.24902800  1
  Li  Li2  1  0.86798200  0.48449500  0.10617600  1
  Li  Li3  1  0.13201300  0.51542300  0.89384900  1
  Fe  Fe4  1  0.50141700  0.01443900  0.75748000  1
  Fe  Fe5  1  0.49861000  0.98548400  0.24250000  1
  Fe  Fe6  1  0.62490400  0.50801100  0.36354300  1
  Fe  Fe7  1  0.37495200  0.49218000  0.63648900  1
  P  P8  1  0.18388400  0.75125600  0.43949300  1
  P  P9  1  0.81601100  0.24872700  0.56050900  1
  P  P10  1  0.30353300  0.24970200  0.06103400  1
  P  P11  1  0.69657400  0.75029000  0.93896400  1
  O  O12  1  0.55646400  0.37224900  0.13814000  1
  O  O13  1  0.44355000  0.62787400  0.86190900  1
  O  O14  1  0.35855800  0.61199900  0.45487200  1
  O  O15  1  0.64135500  0.38803300  0.54515100  1
  O  O16  1  0.93771100  0.63258600  0.35487400  1
  O  O17  1  0.06220200  0.36735000  0.64512300  1
  O  O18  1  0.75118200  0.88022300  0.83711400  1
  O  O19  1  0.24899000  0.11964500  0.16280500  1
  O  O20  1  0.12308100  0.37466900  0.04802200  1
  O  O21  1  0.87690900  0.62521600  0.95197900  1
  O  O22  1  0.18549200  0.87128900  0.60440500  1
  O  O23  1  0.81444600  0.12868600  0.39559700  1
  O  O24  1  0.30402100  0.12353200  0.89711000  1
  O  O25  1  0.69615600  0.87657400  0.10287100  1
  O  O26  1  0.73928100  0.12070800  0.65637200  1
  O  O27  1  0.26062900  0.87924000  0.34361500  1
