# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04984700
_cell_length_b   5.31995200
_cell_length_c   11.36603678
_cell_angle_alpha   62.61967617
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   485.91236445
_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  0.25413100  0.49478500  0.15385500  1
  Li  Li1  1  0.74586900  0.49478500  0.65385500  1
  Fe  Fe2  1  0.41455300  0.96086900  0.87837600  1
  Fe  Fe3  1  0.40667600  0.53395200  0.62938400  1
  Fe  Fe4  1  0.59332400  0.53395200  0.12938400  1
  Fe  Fe5  1  0.58544700  0.96086900  0.37837600  1
  Fe  Fe6  1  0.91773000  0.03273800  0.62501900  1
  Fe  Fe7  1  0.07945200  0.46822400  0.37742700  1
  Fe  Fe8  1  0.92054800  0.46822400  0.87742700  1
  Fe  Fe9  1  0.08227000  0.03273800  0.12501900  1
  B  B10  1  0.42074000  0.46664600  0.37257900  1
  B  B11  1  0.57703600  0.04563100  0.63017500  1
  B  B12  1  0.42296400  0.04563100  0.13017500  1
  B  B13  1  0.57926000  0.46664600  0.87257900  1
  B  B14  1  0.91986200  0.53659300  0.12665000  1
  B  B15  1  0.91784200  0.95420200  0.37967200  1
  B  B16  1  0.08215800  0.95420200  0.87967200  1
  B  B17  1  0.08013800  0.53659300  0.62665000  1
  O  O18  1  0.28248100  0.40844100  0.34723500  1
  O  O19  1  0.43886600  0.83577200  0.08548900  1
  O  O20  1  0.29267000  0.16531800  0.12875400  1
  O  O21  1  0.44785700  0.12217500  0.67694400  1
  O  O22  1  0.54315200  0.36429100  0.33177600  1
  O  O23  1  0.45684800  0.36429100  0.83177600  1
  O  O24  1  0.44682300  0.63892700  0.43392000  1
  O  O25  1  0.55317700  0.63892700  0.93392000  1
  O  O26  1  0.70733000  0.16531800  0.62875400  1
  O  O27  1  0.56113400  0.83577200  0.58548900  1
  O  O28  1  0.55214300  0.12217500  0.17694400  1
  O  O29  1  0.78592400  0.64418300  0.13560400  1
  O  O30  1  0.71751900  0.40844100  0.84723500  1
  O  O31  1  0.96594200  0.86064900  0.83105400  1
  O  O32  1  0.94239100  0.15887000  0.42012100  1
  O  O33  1  0.77922500  0.83929700  0.39368300  1
  O  O34  1  0.93143300  0.35693300  0.06999200  1
  O  O35  1  0.06856700  0.35693300  0.56999200  1
  O  O36  1  0.04984200  0.60117600  0.17445100  1
  O  O37  1  0.95015800  0.60117600  0.67445100  1
  O  O38  1  0.03405800  0.86064900  0.33105400  1
  O  O39  1  0.22077500  0.83929700  0.89368300  1
  O  O40  1  0.05760900  0.15887000  0.92012100  1
  O  O41  1  0.21407600  0.64418300  0.63560400  1
