# generated using pymatgen
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85180505
_cell_length_b   9.85180505
_cell_length_c   11.44264470
_cell_angle_alpha   39.33785964
_cell_angle_beta   39.33785964
_cell_angle_gamma   50.68058580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)4
_chemical_formula_sum   'Li2 Fe2 P8 O24'
_cell_volume   444.51941307
_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  0.71722900  0.28277100  0.75000000  1
  Li  Li1  1  0.28277100  0.71722900  0.25000000  1
  Fe  Fe2  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.50000000  0.50000000  1
  P  P4  1  0.79811200  0.76808400  0.96166300  1
  P  P5  1  0.23191600  0.20188800  0.53833700  1
  P  P6  1  0.49872500  0.01325600  0.68352700  1
  P  P7  1  0.76808400  0.79811200  0.46166300  1
  P  P8  1  0.20188800  0.23191600  0.03833700  1
  P  P9  1  0.50127500  0.98674400  0.31647300  1
  P  P10  1  0.98674400  0.50127500  0.81647300  1
  P  P11  1  0.01325600  0.49872500  0.18352700  1
  O  O12  1  0.98554800  0.69382400  0.98104200  1
  O  O13  1  0.45957100  0.80526600  0.38524500  1
  O  O14  1  0.54042900  0.19473400  0.61475500  1
  O  O15  1  0.61319900  0.62265500  0.69459400  1
  O  O16  1  0.69382400  0.98554800  0.48104200  1
  O  O17  1  0.00131000  0.74509900  0.34699700  1
  O  O18  1  0.79743100  0.46800800  0.40370100  1
  O  O19  1  0.62265500  0.61319900  0.19459400  1
  O  O20  1  0.71267800  0.92447700  0.29359100  1
  O  O21  1  0.25490100  0.99869000  0.15300300  1
  O  O22  1  0.07552300  0.28732200  0.20640900  1
  O  O23  1  0.01445200  0.30617600  0.01895800  1
  O  O24  1  0.19473400  0.54042900  0.11475500  1
  O  O25  1  0.53199200  0.20256900  0.09629900  1
  O  O26  1  0.30617600  0.01445200  0.51895800  1
  O  O27  1  0.80526600  0.45957100  0.88524500  1
  O  O28  1  0.46800800  0.79743100  0.90370100  1
  O  O29  1  0.92447700  0.71267800  0.79359100  1
  O  O30  1  0.74509900  0.00131000  0.84699700  1
  O  O31  1  0.28732200  0.07552300  0.70640900  1
  O  O32  1  0.37734500  0.38680100  0.80540600  1
  O  O33  1  0.20256900  0.53199200  0.59629900  1
  O  O34  1  0.99869000  0.25490100  0.65300300  1
  O  O35  1  0.38680100  0.37734500  0.30540600  1
