# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06375800
_cell_length_b   6.29964022
_cell_length_c   9.98182313
_cell_angle_alpha   108.13264621
_cell_angle_beta   95.17468974
_cell_angle_gamma   99.85489762
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   352.80231440
_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  0.00021500  0.23106200  0.74021100  1
  Li  Li1  1  0.82531000  0.32783600  0.01297500  1
  Li  Li2  1  0.17469000  0.67216400  0.98702500  1
  Li  Li3  1  0.99978500  0.76893800  0.25978900  1
  Fe  Fe4  1  0.62687600  0.23129200  0.32222200  1
  Fe  Fe5  1  0.50104500  0.23869700  0.74222200  1
  Fe  Fe6  1  0.49895500  0.76130300  0.25777800  1
  Fe  Fe7  1  0.37312400  0.76870800  0.67777800  1
  P  P8  1  0.19150200  0.32262500  0.43593900  1
  P  P9  1  0.30467400  0.18554600  0.04553700  1
  P  P10  1  0.69532600  0.81445400  0.95446300  1
  P  P11  1  0.80849800  0.67737500  0.56406100  1
  O  O12  1  0.55645700  0.24587400  0.11437800  1
  O  O13  1  0.35659700  0.18502500  0.40678600  1
  O  O14  1  0.94763300  0.25919300  0.37132100  1
  O  O15  1  0.75962300  0.07367700  0.87861700  1
  O  O16  1  0.14698400  0.33208200  0.06763700  1
  O  O17  1  0.21119700  0.26806900  0.60111000  1
  O  O18  1  0.29565800  0.21860400  0.88380800  1
  O  O19  1  0.74519200  0.41891900  0.63014600  1
  O  O20  1  0.25480800  0.58108100  0.36985400  1
  O  O21  1  0.70434200  0.78139600  0.11619200  1
  O  O22  1  0.78880300  0.73193100  0.39889000  1
  O  O23  1  0.85301600  0.66791800  0.93236300  1
  O  O24  1  0.24037700  0.92632300  0.12138300  1
  O  O25  1  0.05236700  0.74080700  0.62867900  1
  O  O26  1  0.64340300  0.81497500  0.59321400  1
  O  O27  1  0.44354300  0.75412600  0.88562200  1
