# generated using pymatgen
data_LiFe(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37447067
_cell_length_b   6.37447067
_cell_length_c   6.37447161
_cell_angle_alpha   108.09586461
_cell_angle_beta   108.09586461
_cell_angle_gamma   108.09587065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)3
_chemical_formula_sum   'Li1 Fe1 P3 O9'
_cell_volume   208.93018544
_cell_formula_units_Z   1
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  0.52738500  0.52738500  0.52738500  1
  Fe  Fe1  1  0.99320500  0.99320500  0.99320500  1
  P  P2  1  0.97109000  0.09851200  0.51855600  1
  P  P3  1  0.09851200  0.51855600  0.97109000  1
  P  P4  1  0.51855600  0.97109000  0.09851200  1
  O  O5  1  0.73935100  0.13978900  0.37404100  1
  O  O6  1  0.91565300  0.61281000  0.88140200  1
  O  O7  1  0.36983600  0.10934300  0.06311000  1
  O  O8  1  0.10934300  0.06311000  0.36983600  1
  O  O9  1  0.88140200  0.91565300  0.61281000  1
  O  O10  1  0.13978900  0.37404100  0.73935100  1
  O  O11  1  0.61281000  0.88140200  0.91565300  1
  O  O12  1  0.06311000  0.36983600  0.10934300  1
  O  O13  1  0.37404100  0.73935100  0.13978900  1
