# generated using pymatgen
data_Li2FeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00108200
_cell_length_b   5.86078600
_cell_length_c   10.54072600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeBO4
_chemical_formula_sum   'Li8 Fe4 B4 O16'
_cell_volume   308.95153950
_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  0.17614800  0.00446800  0.66850200  1
  Li  Li1  1  0.32385200  0.00446800  0.16850200  1
  Li  Li2  1  0.17614800  0.49553200  0.66850200  1
  Li  Li3  1  0.32385200  0.49553200  0.16850200  1
  Li  Li4  1  0.67614800  0.50446800  0.83149800  1
  Li  Li5  1  0.82385200  0.50446800  0.33149800  1
  Li  Li6  1  0.82385200  0.99553200  0.33149800  1
  Li  Li7  1  0.67614800  0.99553200  0.83149800  1
  Fe  Fe8  1  0.67866900  0.25000000  0.57632200  1
  Fe  Fe9  1  0.82133100  0.25000000  0.07632200  1
  Fe  Fe10  1  0.17866900  0.75000000  0.92367800  1
  Fe  Fe11  1  0.32133100  0.75000000  0.42367800  1
  B  B12  1  0.17135200  0.25000000  0.91139100  1
  B  B13  1  0.32864800  0.25000000  0.41139100  1
  B  B14  1  0.67135200  0.75000000  0.58860900  1
  B  B15  1  0.82864800  0.75000000  0.08860900  1
  O  O16  1  0.28399800  0.03907600  0.85151900  1
  O  O17  1  0.21600200  0.03907600  0.35151900  1
  O  O18  1  0.86928200  0.25000000  0.89701600  1
  O  O19  1  0.28906600  0.25000000  0.55458100  1
  O  O20  1  0.21093400  0.25000000  0.05458100  1
  O  O21  1  0.63071800  0.25000000  0.39701600  1
  O  O22  1  0.28399800  0.46092400  0.85151900  1
  O  O23  1  0.21600200  0.46092400  0.35151900  1
  O  O24  1  0.71600200  0.53907600  0.14848100  1
  O  O25  1  0.78399800  0.53907600  0.64848100  1
  O  O26  1  0.78906600  0.75000000  0.94541900  1
  O  O27  1  0.36928200  0.75000000  0.60298400  1
  O  O28  1  0.71093400  0.75000000  0.44541900  1
  O  O29  1  0.13071800  0.75000000  0.10298400  1
  O  O30  1  0.78399800  0.96092400  0.64848100  1
  O  O31  1  0.71600200  0.96092400  0.14848100  1
