# generated using pymatgen
data_LiFe2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69710554
_cell_length_b   8.69710554
_cell_length_c   8.69710530
_cell_angle_alpha   59.78616225
_cell_angle_beta   59.78616225
_cell_angle_gamma   59.78616216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(PO4)3
_chemical_formula_sum   'Li2 Fe4 P6 O24'
_cell_volume   462.90908074
_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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe2  1  0.35664600  0.35664600  0.35664600  1
  Fe  Fe3  1  0.14335400  0.14335400  0.14335400  1
  Fe  Fe4  1  0.85664600  0.85664600  0.85664600  1
  Fe  Fe5  1  0.64335400  0.64335400  0.64335400  1
  P  P6  1  0.54159500  0.95840500  0.25000000  1
  P  P7  1  0.25000000  0.54159500  0.95840500  1
  P  P8  1  0.75000000  0.45840500  0.04159500  1
  P  P9  1  0.45840500  0.04159500  0.75000000  1
  P  P10  1  0.95840500  0.25000000  0.54159500  1
  P  P11  1  0.04159500  0.75000000  0.45840500  1
  O  O12  1  0.41153500  0.56118700  0.76546700  1
  O  O13  1  0.50703500  0.12081700  0.30078300  1
  O  O14  1  0.30078300  0.50703500  0.12081700  1
  O  O15  1  0.99296500  0.19921700  0.37918300  1
  O  O16  1  0.00703500  0.80078300  0.62081700  1
  O  O17  1  0.87918300  0.69921700  0.49296500  1
  O  O18  1  0.49296500  0.87918300  0.69921700  1
  O  O19  1  0.76546700  0.41153500  0.56118700  1
  O  O20  1  0.73453300  0.93881300  0.08846500  1
  O  O21  1  0.08846500  0.73453300  0.93881300  1
  O  O22  1  0.12081700  0.30078300  0.50703500  1
  O  O23  1  0.37918300  0.99296500  0.19921700  1
  O  O24  1  0.43881300  0.23453300  0.58846500  1
  O  O25  1  0.26546700  0.06118700  0.91153500  1
  O  O26  1  0.06118700  0.91153500  0.26546700  1
  O  O27  1  0.69921700  0.49296500  0.87918300  1
  O  O28  1  0.23453300  0.58846500  0.43881300  1
  O  O29  1  0.93881300  0.08846500  0.73453300  1
  O  O30  1  0.19921700  0.37918300  0.99296500  1
  O  O31  1  0.56118700  0.76546700  0.41153500  1
  O  O32  1  0.62081700  0.00703500  0.80078300  1
  O  O33  1  0.58846500  0.43881300  0.23453300  1
  O  O34  1  0.91153500  0.26546700  0.06118700  1
  O  O35  1  0.80078300  0.62081700  0.00703500  1
