# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20561500
_cell_length_b   9.19183059
_cell_length_c   11.40889360
_cell_angle_alpha   112.76781509
_cell_angle_beta   102.79150656
_cell_angle_gamma   91.06289482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   487.56745064
_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  0.64185000  0.97572000  0.61219100  1
  Li  Li1  1  0.33190600  0.00257100  0.35371400  1
  Fe  Fe2  1  0.64176500  0.64165400  0.62347600  1
  Fe  Fe3  1  0.39351900  0.07134300  0.12157000  1
  Fe  Fe4  1  0.85623800  0.84043200  0.37173900  1
  Fe  Fe5  1  0.10411400  0.43229700  0.87050900  1
  Fe  Fe6  1  0.89042300  0.56474700  0.12129000  1
  Fe  Fe7  1  0.14457400  0.15847500  0.62221800  1
  Fe  Fe8  1  0.35333400  0.35551200  0.37189000  1
  Fe  Fe9  1  0.59912500  0.92833200  0.87055700  1
  B  B10  1  0.65570300  0.30576700  0.61549000  1
  B  B11  1  0.39047900  0.39470200  0.12109000  1
  B  B12  1  0.85588900  0.17959000  0.36581600  1
  B  B13  1  0.10347000  0.10363800  0.86835500  1
  B  B14  1  0.13795600  0.81738600  0.62750500  1
  B  B15  1  0.88791400  0.89538200  0.12499800  1
  B  B16  1  0.33986600  0.69179200  0.37934800  1
  B  B17  1  0.60393100  0.60453700  0.87352100  1
  O  O18  1  0.15565400  0.93838600  0.15135900  1
  O  O19  1  0.30448900  0.29112400  0.17336700  1
  O  O20  1  0.20186400  0.47232600  0.06786600  1
  O  O21  1  0.47813300  0.83056600  0.39998500  1
  O  O22  1  0.46359400  0.58326200  0.42771700  1
  O  O23  1  0.57159900  0.16248300  0.32577400  1
  O  O24  1  0.92622800  0.34482800  0.67561300  1
  O  O25  1  0.64861700  0.41541900  0.12425000  1
  O  O26  1  0.78985600  0.78075400  0.15895600  1
  O  O27  1  0.01666300  0.92678600  0.58553300  1
  O  O28  1  0.99489100  0.69545000  0.63245900  1
  O  O29  1  0.70630100  0.97477100  0.06635500  1
  O  O30  1  0.28631000  0.02415900  0.92706200  1
  O  O31  1  0.99964400  0.30244800  0.36272300  1
  O  O32  1  0.97793100  0.06903300  0.40633800  1
  O  O33  1  0.20302900  0.21709100  0.83360500  1
  O  O34  1  0.34638000  0.58453900  0.87156500  1
  O  O35  1  0.07051400  0.65287800  0.31642300  1
  O  O36  1  0.42245400  0.83381400  0.66691800  1
  O  O37  1  0.53062000  0.41406600  0.56687300  1
  O  O38  1  0.51810200  0.16887600  0.59820600  1
  O  O39  1  0.79273600  0.52535300  0.92506700  1
  O  O40  1  0.68978900  0.70844900  0.82161600  1
  O  O41  1  0.83734900  0.06296300  0.84516700  1
