# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60538999
_cell_length_b   6.31985773
_cell_length_c   9.20678282
_cell_angle_alpha   104.31935706
_cell_angle_beta   83.12747297
_cell_angle_gamma   103.60250904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   306.50026431
_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  0.33328400  0.35919100  0.10078200  1
  Li  Li1  1  0.68006700  0.63686200  0.89708300  1
  Li  Li2  1  0.88313800  0.47522800  0.25473000  1
  Li  Li3  1  0.12376800  0.52108400  0.74453300  1
  Fe  Fe4  1  0.33162000  0.05021100  0.78919500  1
  Fe  Fe5  1  0.22388000  0.16978300  0.41367900  1
  Fe  Fe6  1  0.65485000  0.94290600  0.20342300  1
  Fe  Fe7  1  0.77368900  0.83122400  0.58693300  1
  P  P8  1  0.18346900  0.81574700  0.07460500  1
  P  P9  1  0.81466400  0.17771400  0.92497900  1
  P  P10  1  0.30367700  0.69969800  0.44896200  1
  P  P11  1  0.69576000  0.30847500  0.55215000  1
  O  O12  1  0.38301800  0.67930200  0.07817700  1
  O  O13  1  0.61951900  0.31586300  0.91932200  1
  O  O14  1  0.92609600  0.71571800  0.13930500  1
  O  O15  1  0.07616700  0.27537800  0.86182700  1
  O  O16  1  0.83833200  0.17537100  0.09146100  1
  O  O17  1  0.15777500  0.81860400  0.90911900  1
  O  O18  1  0.28672800  0.05653600  0.17130600  1
  O  O19  1  0.71221700  0.93762100  0.82985200  1
  O  O20  1  0.11256400  0.83873700  0.44172900  1
  O  O21  1  0.88145400  0.16382500  0.56008900  1
  O  O22  1  0.56460500  0.79659000  0.38358800  1
  O  O23  1  0.43108500  0.21456400  0.61504800  1
  O  O24  1  0.20481100  0.46071300  0.35595300  1
  O  O25  1  0.79905300  0.54470200  0.64898800  1
  O  O26  1  0.66241000  0.30481900  0.38689700  1
  O  O27  1  0.34229800  0.71353300  0.61628300  1
