# generated using pymatgen
data_LiFeBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12563702
_cell_length_b   8.35246410
_cell_length_c   14.45422397
_cell_angle_alpha   89.94134414
_cell_angle_beta   89.98881058
_cell_angle_gamma   90.00396418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeBO3
_chemical_formula_sum   'Li6 Fe6 B6 O18'
_cell_volume   377.35290869
_cell_formula_units_Z   6
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  0.00007700  0.18909500  0.17905700  1
  Li  Li1  1  0.99999400  0.68913200  0.67907200  1
  Li  Li2  1  0.99986300  0.63664100  0.00525800  1
  Li  Li3  1  0.00010300  0.13669300  0.50526800  1
  Li  Li4  1  0.00003300  0.67354900  0.31592200  1
  Li  Li5  1  0.99992500  0.17353700  0.81589800  1
  Fe  Fe6  1  0.50002200  0.31204800  0.99457200  1
  Fe  Fe7  1  0.49991200  0.35174600  0.65875900  1
  Fe  Fe8  1  0.50009000  0.33575900  0.34674000  1
  Fe  Fe9  1  0.50004100  0.81201800  0.49462800  1
  Fe  Fe10  1  0.49980600  0.85181100  0.15875100  1
  Fe  Fe11  1  0.49996000  0.83570400  0.84669500  1
  B  B12  1  0.49991300  0.00024600  0.33338000  1
  B  B13  1  0.49995800  0.50025900  0.83340500  1
  B  B14  1  0.99998300  0.99969000  0.99985700  1
  B  B15  1  0.00003000  0.49977400  0.49986900  1
  B  B16  1  0.49964000  0.50025100  0.16666300  1
  B  B17  1  0.50060700  0.00027700  0.66669400  1
  O  O18  1  0.00000800  0.64986300  0.45745800  1
  O  O19  1  0.99999300  0.14974200  0.95743100  1
  O  O20  1  0.99992200  0.98795900  0.09606400  1
  O  O21  1  0.00005400  0.48820900  0.59606100  1
  O  O22  1  0.00004700  0.36125400  0.44611700  1
  O  O23  1  0.99999200  0.86121700  0.94608300  1
  O  O24  1  0.50006700  0.84761100  0.29628900  1
  O  O25  1  0.50005800  0.34762900  0.79631600  1
  O  O26  1  0.49999800  0.02092100  0.42840200  1
  O  O27  1  0.49997400  0.52093600  0.92841300  1
  O  O28  1  0.49965700  0.13233600  0.27549300  1
  O  O29  1  0.49966900  0.63233800  0.77550000  1
  O  O30  1  0.50034200  0.34667700  0.12938500  1
  O  O31  1  0.49999900  0.84669900  0.62943700  1
  O  O32  1  0.50021100  0.52106000  0.26219400  1
  O  O33  1  0.49996200  0.02124200  0.76222300  1
  O  O34  1  0.49796700  0.63301700  0.10830200  1
  O  O35  1  0.50212200  0.13306300  0.60834100  1
