# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33777500
_cell_length_b   9.03990445
_cell_length_c   10.13065153
_cell_angle_alpha   89.76678110
_cell_angle_beta   89.44430887
_cell_angle_gamma   89.58646736
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   488.79445112
_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  0.65028000  0.00255900  0.89550900  1
  Li  Li1  1  0.85035600  0.51177200  0.65397700  1
  Fe  Fe2  1  0.15846000  0.82560200  0.87668600  1
  Fe  Fe3  1  0.83990000  0.84813400  0.62553900  1
  Fe  Fe4  1  0.33840900  0.66673600  0.13332400  1
  Fe  Fe5  1  0.65802300  0.66634300  0.38082500  1
  Fe  Fe6  1  0.34075900  0.32513500  0.62726000  1
  Fe  Fe7  1  0.16104100  0.16563900  0.37504000  1
  Fe  Fe8  1  0.65047200  0.34330200  0.88028700  1
  Fe  Fe9  1  0.84336000  0.16748300  0.12703000  1
  B  B10  1  0.15942200  0.82914500  0.37595900  1
  B  B11  1  0.33758800  0.65877500  0.63143800  1
  B  B12  1  0.82770300  0.83045800  0.12480800  1
  B  B13  1  0.66613600  0.67965100  0.87614300  1
  B  B14  1  0.33729100  0.33073000  0.13053800  1
  B  B15  1  0.66831900  0.32871200  0.37777800  1
  B  B16  1  0.16072400  0.15839600  0.87484800  1
  B  B17  1  0.83103000  0.18094500  0.62908900  1
  O  O18  1  0.25468800  0.96745100  0.37055000  1
  O  O19  1  0.06991000  0.80008000  0.07835000  1
  O  O20  1  0.72967100  0.96953300  0.11136300  1
  O  O21  1  0.20740700  0.77897300  0.68462600  1
  O  O22  1  0.30259700  0.70644200  0.33369600  1
  O  O23  1  0.79514500  0.81068400  0.84580800  1
  O  O24  1  0.91908200  0.80427500  0.42396800  1
  O  O25  1  0.43026800  0.69629200  0.93781800  1
  O  O26  1  0.21897100  0.52381500  0.62724300  1
  O  O27  1  0.58239500  0.67483400  0.58251700  1
  O  O28  1  0.69023200  0.71412600  0.17946800  1
  O  O29  1  0.24170600  0.46939400  0.13561200  1
  O  O30  1  0.76010700  0.54669800  0.84287700  1
  O  O31  1  0.28651100  0.27818300  0.82016300  1
  O  O32  1  0.42869100  0.29847000  0.42780700  1
  O  O33  1  0.76129700  0.46717400  0.38172100  1
  O  O34  1  0.57816700  0.30460400  0.08156900  1
  O  O35  1  0.06972800  0.19656400  0.56930700  1
  O  O36  1  0.19718500  0.20828400  0.17346000  1
  O  O37  1  0.70463100  0.31426000  0.66119700  1
  O  O38  1  0.80756400  0.20886500  0.32666600  1
  O  O39  1  0.27976800  0.02299500  0.88126300  1
  O  O40  1  0.91518900  0.17585900  0.92469000  1
  O  O41  1  0.72970200  0.05015500  0.65611100  1
