# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23741800
_cell_length_b   9.09770629
_cell_length_c   11.35785291
_cell_angle_alpha   112.55979810
_cell_angle_beta   103.18002307
_cell_angle_gamma   89.33797660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   484.87035920
_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  0.28197600  0.27683100  0.90317600  1
  Li  Li1  1  0.26669800  0.24791800  0.16155200  1
  Li  Li2  1  0.53224900  0.53865100  0.41686600  1
  Li  Li3  1  0.97614400  0.99524400  0.64688900  1
  Fe  Fe4  1  0.02854100  0.33627100  0.38188600  1
  Fe  Fe5  1  0.25768900  0.92909500  0.87892100  1
  Fe  Fe6  1  0.46449900  0.16714500  0.62670600  1
  Fe  Fe7  1  0.24940900  0.57327700  0.13263000  1
  Fe  Fe8  1  0.77001200  0.44505100  0.88195100  1
  Fe  Fe9  1  0.51769200  0.86236200  0.37693400  1
  Fe  Fe10  1  0.99190700  0.64285900  0.63333400  1
  Fe  Fe11  1  0.73409600  0.05719800  0.12317000  1
  B  B12  1  0.02079700  0.68801500  0.38590000  1
  B  B13  1  0.27011900  0.59608400  0.87379700  1
  B  B14  1  0.48292100  0.81528900  0.62190600  1
  B  B15  1  0.23237000  0.90576100  0.13420100  1
  B  B16  1  0.53019400  0.18449200  0.36846700  1
  B  B17  1  0.76338900  0.11343000  0.88048000  1
  B  B18  1  0.96810400  0.31727400  0.63756200  1
  B  B19  1  0.73754300  0.38351900  0.11901400  1
  O  O20  1  0.01605000  0.09862600  0.86263700  1
  O  O21  1  0.11630800  0.69712700  0.82571000  1
  O  O22  1  0.15264400  0.49576000  0.91840500  1
  O  O23  1  0.09649700  0.18606500  0.63742000  1
  O  O24  1  0.05566900  0.41911800  0.58613900  1
  O  O25  1  0.24086200  0.82672000  0.65839100  1
  O  O26  1  0.26848400  0.67668000  0.35305700  1
  O  O27  1  0.52986300  0.59658200  0.88012800  1
  O  O28  1  0.61167800  0.22771000  0.84834500  1
  O  O29  1  0.44388500  0.08564800  0.42157800  1
  O  O30  1  0.39733600  0.31453700  0.36225500  1
  O  O31  1  0.64729400  0.01875800  0.92839100  1
  O  O32  1  0.34992700  0.00850800  0.09081200  1
  O  O33  1  0.62745700  0.68552100  0.61499700  1
  O  O34  1  0.57396300  0.93287700  0.58701600  1
  O  O35  1  0.38493100  0.80553300  0.18291200  1
  O  O36  1  0.47143300  0.38394700  0.11593800  1
  O  O37  1  0.74541900  0.35154700  0.68674400  1
  O  O38  1  0.75203100  0.15081000  0.31885900  1
  O  O39  1  0.93434200  0.57228500  0.42505800  1
  O  O40  1  0.87019300  0.81059100  0.38343500  1
  O  O41  1  0.85940500  0.48378400  0.07868300  1
  O  O42  1  0.89199900  0.27603200  0.16022900  1
  O  O43  1  0.97165000  0.90513600  0.12600700  1
