# generated using pymatgen
data_LiFe(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49959670
_cell_length_b   6.49959670
_cell_length_c   9.76374272
_cell_angle_alpha   89.80436568
_cell_angle_beta   89.80436568
_cell_angle_gamma   59.78150859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)3
_chemical_formula_sum   'Li2 Fe2 P6 O18'
_cell_volume   356.41503994
_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  0.32715700  0.34200400  0.50003100  1
  Li  Li1  1  0.34200400  0.32715700  0.00003100  1
  Fe  Fe2  1  0.66410600  0.66936500  0.99998800  1
  Fe  Fe3  1  0.66936500  0.66410600  0.49998800  1
  P  P4  1  0.27845900  0.75051600  0.24976400  1
  P  P5  1  0.27843600  0.96970500  0.75051300  1
  P  P6  1  0.75051600  0.27845900  0.74976400  1
  P  P7  1  0.96970500  0.27843600  0.25051300  1
  P  P8  1  0.75066400  0.97144800  0.24962600  1
  P  P9  1  0.97144800  0.75066400  0.74962600  1
  O  O10  1  0.40311700  0.63770300  0.11764700  1
  O  O11  1  0.39537600  0.63561100  0.38321300  1
  O  O12  1  0.39934200  0.96501700  0.88258000  1
  O  O13  1  0.39863400  0.95970100  0.61706400  1
  O  O14  1  0.63561100  0.39537600  0.88321300  1
  O  O15  1  0.63770300  0.40311700  0.61764700  1
  O  O16  1  0.95970100  0.39863400  0.11706400  1
  O  O17  1  0.96501700  0.39934200  0.38258000  1
  O  O18  1  0.64116700  0.95731200  0.38261900  1
  O  O19  1  0.63318500  0.97250000  0.11690000  1
  O  O20  1  0.02443000  0.20972400  0.75056800  1
  O  O21  1  0.20972400  0.02443000  0.25056800  1
  O  O22  1  0.97250000  0.63318500  0.61690000  1
  O  O23  1  0.95731200  0.64116700  0.88261900  1
  O  O24  1  0.02508500  0.76500500  0.24500200  1
  O  O25  1  0.21039400  0.76450700  0.75445400  1
  O  O26  1  0.76500500  0.02508500  0.74500200  1
  O  O27  1  0.76450700  0.21039400  0.25445400  1
