# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23345600
_cell_length_b   9.16713887
_cell_length_c   11.33130209
_cell_angle_alpha   113.01604852
_cell_angle_beta   103.29840974
_cell_angle_gamma   89.41619681
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   485.00256912
_cell_formula_units_Z   1
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  0.29026400  0.27578100  0.91413400  1
  Li  Li1  1  0.48565100  0.50446000  0.65527200  1
  Li  Li2  1  0.97635200  0.00017900  0.64952700  1
  Fe  Fe3  1  0.02153100  0.34910200  0.37039100  1
  Fe  Fe4  1  0.25820300  0.93102700  0.88235200  1
  Fe  Fe5  1  0.46502400  0.15607000  0.62373500  1
  Fe  Fe6  1  0.24372100  0.56652700  0.13975400  1
  Fe  Fe7  1  0.77107400  0.44279000  0.88632400  1
  Fe  Fe8  1  0.52007000  0.85381300  0.37432800  1
  Fe  Fe9  1  0.97535400  0.64913800  0.62725800  1
  Fe  Fe10  1  0.73719100  0.06419700  0.12476500  1
  B  B11  1  0.03176900  0.69316400  0.38767300  1
  B  B12  1  0.25610500  0.59076300  0.86509200  1
  B  B13  1  0.47767500  0.81344200  0.62578600  1
  B  B14  1  0.23804500  0.89962400  0.13345900  1
  B  B15  1  0.52750800  0.18739800  0.37705400  1
  B  B16  1  0.76887900  0.11408400  0.87786800  1
  B  B17  1  0.97028900  0.31941800  0.63172400  1
  B  B18  1  0.72777400  0.38705200  0.12077000  1
  O  O19  1  0.01832000  0.09650600  0.85749600  1
  O  O20  1  0.11073000  0.69532200  0.82022300  1
  O  O21  1  0.14477700  0.49651200  0.91433500  1
  O  O22  1  0.09822700  0.19222100  0.63655000  1
  O  O23  1  0.07167300  0.42417400  0.58425500  1
  O  O24  1  0.23038700  0.83037800  0.65919000  1
  O  O25  1  0.26638100  0.68018600  0.34935000  1
  O  O26  1  0.50987600  0.57405200  0.85258200  1
  O  O27  1  0.61694600  0.22629400  0.84161500  1
  O  O28  1  0.46280000  0.07493300  0.42177100  1
  O  O29  1  0.37607700  0.31046200  0.38357500  1
  O  O30  1  0.65166400  0.02685700  0.92995800  1
  O  O31  1  0.36944400  0.98664100  0.08470500  1
  O  O32  1  0.61596800  0.68603700  0.63052400  1
  O  O33  1  0.57924700  0.92601300  0.59099200  1
  O  O34  1  0.38156100  0.79521200  0.18031200  1
  O  O35  1  0.46464300  0.38009500  0.10329500  1
  O  O36  1  0.73854300  0.35385900  0.67423300  1
  O  O37  1  0.75968200  0.17526300  0.33247100  1
  O  O38  1  0.96032800  0.57580000  0.43018100  1
  O  O39  1  0.87472000  0.81170500  0.38982700  1
  O  O40  1  0.85891200  0.48401000  0.07856400  1
  O  O41  1  0.88409100  0.29098000  0.17568300  1
  O  O42  1  0.97949500  0.91680100  0.13244400  1
