# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29964009
_cell_length_b   10.00911136
_cell_length_c   6.06375865
_cell_angle_alpha   101.40069227
_cell_angle_beta   99.85489874
_cell_angle_gamma   71.39626523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   352.80234615
_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  0.23106200  0.74021100  0.00021500  1
  Li  Li1  1  0.32783600  0.01297500  0.82531000  1
  Li  Li2  1  0.67216400  0.98702500  0.17469000  1
  Li  Li3  1  0.76893800  0.25978900  0.99978500  1
  Fe  Fe4  1  0.23129200  0.32222200  0.62687600  1
  Fe  Fe5  1  0.23869700  0.74222200  0.50104500  1
  Fe  Fe6  1  0.76130300  0.25777800  0.49895500  1
  Fe  Fe7  1  0.76870800  0.67777800  0.37312400  1
  P  P8  1  0.32262500  0.43593900  0.19150200  1
  P  P9  1  0.18554600  0.04553700  0.30467400  1
  P  P10  1  0.81445400  0.95446300  0.69532600  1
  P  P11  1  0.67737500  0.56406100  0.80849800  1
  O  O12  1  0.24587400  0.11437800  0.55645700  1
  O  O13  1  0.18502500  0.40678600  0.35659700  1
  O  O14  1  0.25919300  0.37132100  0.94763300  1
  O  O15  1  0.07367700  0.87861700  0.75962300  1
  O  O16  1  0.33208200  0.06763700  0.14698400  1
  O  O17  1  0.26806900  0.60111000  0.21119700  1
  O  O18  1  0.21860400  0.88380800  0.29565800  1
  O  O19  1  0.41891900  0.63014600  0.74519200  1
  O  O20  1  0.58108100  0.36985400  0.25480800  1
  O  O21  1  0.78139600  0.11619200  0.70434200  1
  O  O22  1  0.73193100  0.39889000  0.78880300  1
  O  O23  1  0.66791800  0.93236300  0.85301600  1
  O  O24  1  0.92632300  0.12138300  0.24037700  1
  O  O25  1  0.74080700  0.62867900  0.05236700  1
  O  O26  1  0.81497500  0.59321400  0.64340300  1
  O  O27  1  0.75412600  0.88562200  0.44354300  1
