# generated using pymatgen
data_Li3Fe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86132941
_cell_length_b   5.86132941
_cell_length_c   9.90665100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999335
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe3O8
_chemical_formula_sum   'Li6 Fe6 O16'
_cell_volume   294.74726495
_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  0.33333300  0.66666700  0.49956500  1
  Li  Li1  1  0.33333300  0.66666700  0.88811200  1
  Li  Li2  1  0.00000000  0.00000000  0.00070700  1
  Li  Li3  1  0.00000000  0.00000000  0.50070700  1
  Li  Li4  1  0.66666700  0.33333300  0.99956500  1
  Li  Li5  1  0.66666700  0.33333300  0.38811200  1
  Fe  Fe6  1  0.16856400  0.83143600  0.21521800  1
  Fe  Fe7  1  0.16856400  0.33712700  0.21521800  1
  Fe  Fe8  1  0.66287300  0.83143600  0.21521800  1
  Fe  Fe9  1  0.33712700  0.16856400  0.71521800  1
  Fe  Fe10  1  0.83143600  0.66287300  0.71521800  1
  Fe  Fe11  1  0.83143600  0.16856400  0.71521800  1
  O  O12  1  0.15410500  0.84589500  0.61275800  1
  O  O13  1  0.03423600  0.51711800  0.32063900  1
  O  O14  1  0.33333300  0.66666700  0.10008000  1
  O  O15  1  0.00000000  0.00000000  0.31991400  1
  O  O16  1  0.00000000  0.00000000  0.81991400  1
  O  O17  1  0.15410500  0.30821100  0.61275800  1
  O  O18  1  0.48288200  0.96576400  0.32063900  1
  O  O19  1  0.48288200  0.51711800  0.32063900  1
  O  O20  1  0.30821100  0.15410500  0.11275800  1
  O  O21  1  0.69178900  0.84589500  0.61275800  1
  O  O22  1  0.51711800  0.48288200  0.82063900  1
  O  O23  1  0.51711800  0.03423600  0.82063900  1
  O  O24  1  0.66666700  0.33333300  0.60008000  1
  O  O25  1  0.84589500  0.69178900  0.11275800  1
  O  O26  1  0.96576400  0.48288200  0.82063900  1
  O  O27  1  0.84589500  0.15410500  0.11275800  1
