# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25114400
_cell_length_b   5.25391264
_cell_length_c   20.11854344
_cell_angle_alpha   90.89540339
_cell_angle_beta   89.69963252
_cell_angle_gamma   118.88169755
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   485.95256272
_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  0.33252400  0.35559500  0.92232700  1
  Li  Li1  1  0.65647400  0.65606900  0.55021900  1
  Fe  Fe2  1  0.31986400  0.97836400  0.81185400  1
  Fe  Fe3  1  0.32474700  0.99801500  0.31062100  1
  Fe  Fe4  1  0.99131300  0.68465300  0.93859300  1
  Fe  Fe5  1  0.00750600  0.67333300  0.43573100  1
  Fe  Fe6  1  0.00564300  0.31844600  0.56068400  1
  Fe  Fe7  1  0.99670700  0.32588000  0.06044900  1
  Fe  Fe8  1  0.66852000  0.00829900  0.68399400  1
  Fe  Fe9  1  0.67566600  0.00353600  0.18522400  1
  B  B10  1  0.65987400  0.00262900  0.93639600  1
  B  B11  1  0.66559400  0.00242000  0.43676900  1
  B  B12  1  0.98599400  0.32631000  0.81277900  1
  B  B13  1  0.99426500  0.34044100  0.31149600  1
  B  B14  1  0.99973400  0.66265700  0.68507600  1
  B  B15  1  0.00392200  0.65965100  0.18605900  1
  B  B16  1  0.33749000  0.99957800  0.55962600  1
  B  B17  1  0.33613100  0.99612100  0.06194900  1
  O  O18  1  0.72452900  0.11487900  0.78479600  1
  O  O19  1  0.72950300  0.12706400  0.28469700  1
  O  O20  1  0.90834300  0.25474000  0.95950100  1
  O  O21  1  0.42175600  0.03112400  0.91313400  1
  O  O22  1  0.88340600  0.27340600  0.45658900  1
  O  O23  1  0.40588800  0.97693400  0.41173700  1
  O  O24  1  0.01276800  0.59191500  0.83267200  1
  O  O25  1  0.34996100  0.26177300  0.55901100  1
  O  O26  1  0.00717400  0.60037600  0.33441200  1
  O  O27  1  0.30042100  0.23450400  0.05852700  1
  O  O28  1  0.21074800  0.27103300  0.82381800  1
  O  O29  1  0.22550700  0.29400600  0.31503300  1
  O  O30  1  0.77264200  0.71458900  0.67679500  1
  O  O31  1  0.77337500  0.70673900  0.18365400  1
  O  O32  1  0.64723600  0.74021800  0.93553300  1
  O  O33  1  0.97770100  0.39854400  0.66531100  1
  O  O34  1  0.69849700  0.76245700  0.44544100  1
  O  O35  1  0.99079800  0.40085900  0.16308000  1
  O  O36  1  0.57553300  0.96999000  0.58260100  1
  O  O37  1  0.59822100  0.01837300  0.08505900  1
  O  O38  1  0.09074100  0.74481900  0.53707000  1
  O  O39  1  0.11915800  0.72679400  0.04029400  1
  O  O40  1  0.26461600  0.87783200  0.71185600  1
  O  O41  1  0.27061200  0.87369900  0.21257100  1
