# generated using pymatgen
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56421716
_cell_length_b   8.56421716
_cell_length_c   13.17252928
_cell_angle_alpha   45.17208930
_cell_angle_beta   45.17208930
_cell_angle_gamma   50.97526647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)4
_chemical_formula_sum   'Li2 Fe2 P8 O24'
_cell_volume   468.77094746
_cell_formula_units_Z   2
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  0.94663000  0.05337000  0.25000000  1
  Li  Li1  1  0.05337000  0.94663000  0.75000000  1
  Fe  Fe2  1  0.60799500  0.39200500  0.75000000  1
  Fe  Fe3  1  0.39200500  0.60799500  0.25000000  1
  P  P4  1  0.42919600  0.08726000  0.35995200  1
  P  P5  1  0.91274000  0.57080400  0.14004800  1
  P  P6  1  0.69509500  0.85683800  0.83870300  1
  P  P7  1  0.08726000  0.42919600  0.85995200  1
  P  P8  1  0.57080400  0.91274000  0.64004800  1
  P  P9  1  0.30490500  0.14316200  0.16129700  1
  P  P10  1  0.85683800  0.69509500  0.33870300  1
  P  P11  1  0.14316200  0.30490500  0.66129700  1
  O  O12  1  0.47425600  0.26511100  0.99035400  1
  O  O13  1  0.04926000  0.30502500  0.20994200  1
  O  O14  1  0.95074000  0.69497500  0.79005800  1
  O  O15  1  0.66963500  0.57114800  0.22663300  1
  O  O16  1  0.64950800  0.93124200  0.71101400  1
  O  O17  1  0.27685400  0.93863700  0.20954300  1
  O  O18  1  0.06875800  0.35049200  0.78898600  1
  O  O19  1  0.26511100  0.47425600  0.49035400  1
  O  O20  1  0.70171400  0.03326400  0.46088500  1
  O  O21  1  0.96673600  0.29828600  0.03911500  1
  O  O22  1  0.30502500  0.04926000  0.70994200  1
  O  O23  1  0.52574400  0.73488900  0.00964600  1
  O  O24  1  0.57114800  0.66963500  0.72663300  1
  O  O25  1  0.06136300  0.72314600  0.29045700  1
  O  O26  1  0.35049200  0.06875800  0.28898600  1
  O  O27  1  0.42885200  0.33036500  0.27336700  1
  O  O28  1  0.93863700  0.27685400  0.70954300  1
  O  O29  1  0.69497500  0.95074000  0.29005800  1
  O  O30  1  0.03326400  0.70171400  0.96088500  1
  O  O31  1  0.29828600  0.96673600  0.53911500  1
  O  O32  1  0.73488900  0.52574400  0.50964600  1
  O  O33  1  0.93124200  0.64950800  0.21101400  1
  O  O34  1  0.72314600  0.06136300  0.79045700  1
  O  O35  1  0.33036500  0.42885200  0.77336700  1
