# generated using pymatgen
data_LiNbFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28749500
_cell_length_b   6.28749500
_cell_length_c   8.40819200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbFeO4
_chemical_formula_sum   'Li4 Nb4 Fe4 O16'
_cell_volume   332.39763536
_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  0.50000000  0.72021300  0.00000000  1
  Li  Li1  1  0.50000000  0.27978700  0.50000000  1
  Li  Li2  1  0.72021300  0.50000000  0.25000000  1
  Li  Li3  1  0.27978700  0.50000000  0.75000000  1
  Nb  Nb4  1  0.71475000  0.00000000  0.25000000  1
  Nb  Nb5  1  0.00000000  0.71475000  0.00000000  1
  Nb  Nb6  1  0.00000000  0.28525000  0.50000000  1
  Nb  Nb7  1  0.28525000  0.00000000  0.75000000  1
  Fe  Fe8  1  0.75978200  0.75978200  0.62500000  1
  Fe  Fe9  1  0.75978200  0.24021800  0.87500000  1
  Fe  Fe10  1  0.24021800  0.75978200  0.37500000  1
  Fe  Fe11  1  0.24021800  0.24021800  0.12500000  1
  O  O12  1  0.52394900  0.76556200  0.25684900  1
  O  O13  1  0.52394900  0.23443800  0.24315100  1
  O  O14  1  0.76556200  0.52394900  0.99315100  1
  O  O15  1  0.76556200  0.47605100  0.50684900  1
  O  O16  1  0.76806300  0.97906400  0.01500900  1
  O  O17  1  0.76806300  0.02093600  0.48499100  1
  O  O18  1  0.97906400  0.76806300  0.23499100  1
  O  O19  1  0.97906400  0.23193700  0.26500900  1
  O  O20  1  0.02093600  0.76806300  0.76500900  1
  O  O21  1  0.02093600  0.23193700  0.73499100  1
  O  O22  1  0.23193700  0.02093600  0.51500900  1
  O  O23  1  0.23193700  0.97906400  0.98499100  1
  O  O24  1  0.23443800  0.52394900  0.00684900  1
  O  O25  1  0.23443800  0.47605100  0.49315100  1
  O  O26  1  0.47605100  0.76556200  0.74315100  1
  O  O27  1  0.47605100  0.23443800  0.75684900  1
