# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25601200
_cell_length_b   9.13807376
_cell_length_c   10.11748477
_cell_angle_alpha   88.73791114
_cell_angle_beta   88.97604416
_cell_angle_gamma   89.39302696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.72026876
_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  0.18071100  0.16881900  0.15556400  1
  Li  Li1  1  0.33132400  0.32995600  0.87590800  1
  Li  Li2  1  0.65751000  0.67270200  0.65235400  1
  Li  Li3  1  0.83457900  0.83161100  0.38471000  1
  Fe  Fe4  1  0.16139700  0.83807100  0.63342900  1
  Fe  Fe5  1  0.17026000  0.50614600  0.13277100  1
  Fe  Fe6  1  0.31454800  0.99241800  0.87831200  1
  Fe  Fe7  1  0.34448100  0.65443800  0.37755200  1
  Fe  Fe8  1  0.67631900  0.33404600  0.62945900  1
  Fe  Fe9  1  0.67027200  0.99777400  0.12576500  1
  Fe  Fe10  1  0.83085700  0.16346600  0.38157100  1
  Fe  Fe11  1  0.82330900  0.50686200  0.88485000  1
  B  B12  1  0.17293000  0.50555100  0.63728000  1
  B  B13  1  0.16996000  0.83461800  0.13496700  1
  B  B14  1  0.32736900  0.99178500  0.37078500  1
  B  B15  1  0.32421900  0.66329700  0.87023600  1
  B  B16  1  0.65736700  0.99657300  0.62482200  1
  B  B17  1  0.66917200  0.32978900  0.12586500  1
  B  B18  1  0.84028900  0.50180000  0.38485700  1
  B  B19  1  0.83210500  0.16990200  0.88405800  1
  O  O20  1  0.08510100  0.49532000  0.32755400  1
  O  O21  1  0.09072300  0.17021000  0.89262800  1
  O  O22  1  0.17502500  0.78465100  0.83022000  1
  O  O23  1  0.21715200  0.86562800  0.42910100  1
  O  O24  1  0.18930400  0.11382200  0.34461600  1
  O  O25  1  0.20174900  0.54141400  0.93044000  1
  O  O26  1  0.32816400  0.38757800  0.65975700  1
  O  O27  1  0.31143400  0.95680900  0.09199400  1
  O  O28  1  0.27973500  0.63793400  0.59238500  1
  O  O29  1  0.29414600  0.70329300  0.16384200  1
  O  O30  1  0.40744700  0.33890300  0.11760900  1
  O  O31  1  0.40722700  0.98731300  0.66925700  1
  O  O32  1  0.58671900  0.98410000  0.33312100  1
  O  O33  1  0.57662200  0.66130600  0.84529500  1
  O  O34  1  0.70111500  0.29343700  0.83202700  1
  O  O35  1  0.72909500  0.37325000  0.43387400  1
  O  O36  1  0.71627000  0.63364000  0.39661300  1
  O  O37  1  0.68463200  0.05287900  0.93084200  1
  O  O38  1  0.82182500  0.44680200  0.08963900  1
  O  O39  1  0.80072000  0.86929500  0.61139100  1
  O  O40  1  0.76003900  0.13068900  0.58987100  1
  O  O41  1  0.78807100  0.19846000  0.16546200  1
  O  O42  1  0.91395200  0.84850800  0.15250400  1
  O  O43  1  0.91118300  0.50156600  0.66332800  1
