# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35576049
_cell_length_b   9.11911345
_cell_length_c   10.13026647
_cell_angle_alpha   115.57804450
_cell_angle_beta   104.13500112
_cell_angle_gamma   91.83647024
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   427.38177121
_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  0.80043500  0.44122500  0.01229300  1
  Li  Li1  1  0.30050000  0.94094500  0.01222400  1
  Li  Li2  1  0.01208800  0.37107000  0.51237200  1
  Li  Li3  1  0.51164900  0.87090300  0.51227900  1
  Fe  Fe4  1  0.17892500  0.51205700  0.31954600  1
  Fe  Fe5  1  0.42921700  0.09540100  0.81997100  1
  Fe  Fe6  1  0.67871200  0.01228200  0.31979700  1
  Fe  Fe7  1  0.92805900  0.59527500  0.81960800  1
  P  P8  1  0.35003500  0.70028200  0.69258900  1
  P  P9  1  0.85070400  0.20028500  0.69282100  1
  P  P10  1  0.62528600  0.27522500  0.19287500  1
  P  P11  1  0.12513600  0.77538600  0.19285700  1
  O  O12  1  0.45852800  0.85450200  0.68292700  1
  O  O13  1  0.95849700  0.35457500  0.68289400  1
  O  O14  1  0.80242500  0.40628000  0.18271800  1
  O  O15  1  0.30260600  0.90641200  0.18288800  1
  O  O16  1  0.15375200  0.57926000  0.53520000  1
  O  O17  1  0.65434600  0.07908700  0.53555600  1
  O  O18  1  0.54127600  0.11657200  0.03561400  1
  O  O19  1  0.04072600  0.61693800  0.03547200  1
  O  O20  1  0.19872400  0.75594100  0.81581600  1
  O  O21  1  0.69969200  0.25607100  0.81616400  1
  O  O22  1  0.78490000  0.22770400  0.31605200  1
  O  O23  1  0.28467300  0.72750400  0.31580500  1
  O  O24  1  0.56851400  0.60877100  0.73179000  1
  O  O25  1  0.06975300  0.10925100  0.73213300  1
  O  O26  1  0.37896300  0.33886700  0.23255200  1
  O  O27  1  0.87921600  0.83925900  0.23278500  1
