# generated using pymatgen
data_Li2NbFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60551100
_cell_length_b   8.60551100
_cell_length_c   8.60551100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbFe3O8
_chemical_formula_sum   'Li8 Nb4 Fe12 O32'
_cell_volume   637.27956442
_cell_formula_units_Z   4
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  0.99951600  0.99951600  0.99951600  1
  Li  Li1  1  0.25048400  0.25048400  0.25048400  1
  Li  Li2  1  0.24951600  0.74951600  0.75048400  1
  Li  Li3  1  0.50048400  0.00048400  0.49951600  1
  Li  Li4  1  0.49951600  0.50048400  0.00048400  1
  Li  Li5  1  0.75048400  0.24951600  0.74951600  1
  Li  Li6  1  0.74951600  0.75048400  0.24951600  1
  Li  Li7  1  0.00048400  0.49951600  0.50048400  1
  Nb  Nb8  1  0.12500000  0.87500000  0.37500000  1
  Nb  Nb9  1  0.37500000  0.12500000  0.87500000  1
  Nb  Nb10  1  0.62500000  0.62500000  0.62500000  1
  Nb  Nb11  1  0.87500000  0.37500000  0.12500000  1
  Fe  Fe12  1  0.11791900  0.13208100  0.62500000  1
  Fe  Fe13  1  0.12500000  0.38208100  0.86791900  1
  Fe  Fe14  1  0.13208100  0.62500000  0.11791900  1
  Fe  Fe15  1  0.36791900  0.37500000  0.61791900  1
  Fe  Fe16  1  0.37500000  0.61791900  0.36791900  1
  Fe  Fe17  1  0.38208100  0.86791900  0.12500000  1
  Fe  Fe18  1  0.61791900  0.36791900  0.37500000  1
  Fe  Fe19  1  0.62500000  0.11791900  0.13208100  1
  Fe  Fe20  1  0.63208100  0.87500000  0.88208100  1
  Fe  Fe21  1  0.86791900  0.12500000  0.38208100  1
  Fe  Fe22  1  0.87500000  0.88208100  0.63208100  1
  Fe  Fe23  1  0.88208100  0.63208100  0.87500000  1
  O  O24  1  0.11210500  0.11067700  0.38425500  1
  O  O25  1  0.11574500  0.88789500  0.61067700  1
  O  O26  1  0.11471200  0.61471200  0.88528800  1
  O  O27  1  0.13932300  0.13789500  0.86574500  1
  O  O28  1  0.11067700  0.38425500  0.11210500  1
  O  O29  1  0.13528800  0.36471200  0.63528800  1
  O  O30  1  0.13425500  0.63932300  0.36210500  1
  O  O31  1  0.13789500  0.86574500  0.13932300  1
  O  O32  1  0.36210500  0.13425500  0.63932300  1
  O  O33  1  0.36574500  0.36067700  0.86210500  1
  O  O34  1  0.36471200  0.63528800  0.13528800  1
  O  O35  1  0.38932300  0.61574500  0.61210500  1
  O  O36  1  0.36067700  0.86210500  0.36574500  1
  O  O37  1  0.38528800  0.38528800  0.38528800  1
  O  O38  1  0.38425500  0.11210500  0.11067700  1
  O  O39  1  0.38789500  0.88932300  0.88425500  1
  O  O40  1  0.61210500  0.38932300  0.61574500  1
  O  O41  1  0.61574500  0.61210500  0.38932300  1
  O  O42  1  0.61471200  0.88528800  0.11471200  1
  O  O43  1  0.63932300  0.36210500  0.13425500  1
  O  O44  1  0.61067700  0.11574500  0.88789500  1
  O  O45  1  0.63528800  0.13528800  0.36471200  1
  O  O46  1  0.63425500  0.86067700  0.63789500  1
  O  O47  1  0.63789500  0.63425500  0.86067700  1
  O  O48  1  0.86210500  0.36574500  0.36067700  1
  O  O49  1  0.86574500  0.13932300  0.13789500  1
  O  O50  1  0.86471200  0.86471200  0.86471200  1
  O  O51  1  0.88932300  0.88425500  0.38789500  1
  O  O52  1  0.86067700  0.63789500  0.63425500  1
  O  O53  1  0.88528800  0.11471200  0.61471200  1
  O  O54  1  0.88425500  0.38789500  0.88932300  1
  O  O55  1  0.88789500  0.61067700  0.11574500  1
