# generated using pymatgen
data_Li2NbFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00715043
_cell_length_b   6.00715043
_cell_length_c   9.81189600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbFe3O8
_chemical_formula_sum   'Li4 Nb2 Fe6 O16'
_cell_volume   306.63417938
_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  0.90201900  1
  Li  Li1  1  0.00000000  0.00000000  0.99049900  1
  Li  Li2  1  0.00000000  0.00000000  0.49049900  1
  Li  Li3  1  0.66666700  0.33333300  0.40201900  1
  Nb  Nb4  1  0.33333300  0.66666700  0.49350000  1
  Nb  Nb5  1  0.66666700  0.33333300  0.99350000  1
  Fe  Fe6  1  0.17124900  0.82875100  0.21705900  1
  Fe  Fe7  1  0.17124900  0.34249900  0.21705900  1
  Fe  Fe8  1  0.65750100  0.82875100  0.21705900  1
  Fe  Fe9  1  0.34249900  0.17124900  0.71705900  1
  Fe  Fe10  1  0.82875100  0.65750100  0.71705900  1
  Fe  Fe11  1  0.82875100  0.17124900  0.71705900  1
  O  O12  1  0.16762700  0.83237300  0.59140000  1
  O  O13  1  0.03678700  0.51839300  0.34371800  1
  O  O14  1  0.33333300  0.66666700  0.10782200  1
  O  O15  1  0.00000000  0.00000000  0.30374200  1
  O  O16  1  0.00000000  0.00000000  0.80374200  1
  O  O17  1  0.16762700  0.33525300  0.59140000  1
  O  O18  1  0.48160700  0.96321300  0.34371800  1
  O  O19  1  0.48160700  0.51839300  0.34371800  1
  O  O20  1  0.33525300  0.16762700  0.09140000  1
  O  O21  1  0.66474700  0.83237300  0.59140000  1
  O  O22  1  0.51839300  0.48160700  0.84371800  1
  O  O23  1  0.51839300  0.03678700  0.84371800  1
  O  O24  1  0.66666700  0.33333300  0.60782200  1
  O  O25  1  0.83237300  0.66474700  0.09140000  1
  O  O26  1  0.96321300  0.48160700  0.84371800  1
  O  O27  1  0.83237300  0.16762700  0.09140000  1
