# generated using pymatgen
data_Li3NbFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08705442
_cell_length_b   6.08705442
_cell_length_c   6.13721183
_cell_angle_alpha   59.83305030
_cell_angle_beta   59.83305030
_cell_angle_gamma   60.58013537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NbFe3O8
_chemical_formula_sum   'Li3 Nb1 Fe3 O8'
_cell_volume   161.07500428
_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  0.50000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.00000000  0.50000000  0.00000000  1
  Nb  Nb3  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe4  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe6  1  0.50000000  0.00000000  0.50000000  1
  O  O7  1  0.74418800  0.74418800  0.72697700  1
  O  O8  1  0.76026700  0.21961400  0.24399800  1
  O  O9  1  0.23686200  0.23686200  0.75296500  1
  O  O10  1  0.25581200  0.25581200  0.27302300  1
  O  O11  1  0.21961400  0.76026700  0.24399800  1
  O  O12  1  0.23973300  0.78038600  0.75600200  1
  O  O13  1  0.76313800  0.76313800  0.24703500  1
  O  O14  1  0.78038600  0.23973300  0.75600200  1
