# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27630192
_cell_length_b   9.09859683
_cell_length_c   11.35488539
_cell_angle_alpha   66.33521687
_cell_angle_beta   77.45920262
_cell_angle_gamma   89.55140352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.44053488
_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  0.97282900  0.96657100  0.40090200  1
  Li  Li1  1  0.73133100  0.75236900  0.16041800  1
  Li  Li2  1  0.01693000  0.99307000  0.66386500  1
  Li  Li3  1  0.24490500  0.26397500  0.14280100  1
  Fe  Fe4  1  0.98591700  0.64183100  0.38116000  1
  Fe  Fe5  1  0.72810700  0.06965500  0.87583100  1
  Fe  Fe6  1  0.53027400  0.83509700  0.63578200  1
  Fe  Fe7  1  0.75128800  0.44263800  0.12451400  1
  Fe  Fe8  1  0.23119100  0.56166000  0.87682800  1
  Fe  Fe9  1  0.48106900  0.15150600  0.38312200  1
  Fe  Fe10  1  0.02727000  0.34881600  0.63244100  1
  Fe  Fe11  1  0.25379100  0.94201000  0.12275500  1
  B  B12  1  0.97515800  0.31084600  0.37718500  1
  B  B13  1  0.72697900  0.39298100  0.88300000  1
  B  B14  1  0.51653700  0.18032300  0.63069300  1
  B  B15  1  0.75813800  0.10181600  0.13336000  1
  B  B16  1  0.48683200  0.82084000  0.37211100  1
  B  B17  1  0.23789500  0.89749700  0.87494600  1
  B  B18  1  0.03233400  0.69299900  0.62069500  1
  B  B19  1  0.26250100  0.60262500  0.13075400  1
  O  O20  1  0.99050000  0.92837100  0.85752000  1
  O  O21  1  0.85371900  0.28406200  0.83868600  1
  O  O22  1  0.86877000  0.48514600  0.92289000  1
  O  O23  1  0.91720700  0.83584300  0.60341800  1
  O  O24  1  0.94271200  0.58943700  0.57280300  1
  O  O25  1  0.75252500  0.14565800  0.67288100  1
  O  O26  1  0.74129300  0.32155700  0.33890600  1
  O  O27  1  0.46617400  0.40385000  0.89433000  1
  O  O28  1  0.36293400  0.77856000  0.84333000  1
  O  O29  1  0.57111100  0.93075600  0.41623800  1
  O  O30  1  0.65245900  0.71292100  0.35150800  1
  O  O31  1  0.36720700  0.98641100  0.92209400  1
  O  O32  1  0.66208600  0.00053500  0.08313400  1
  O  O33  1  0.38305100  0.30289600  0.63663700  1
  O  O34  1  0.42399100  0.07337900  0.58116800  1
  O  O35  1  0.58820200  0.20054600  0.17607000  1
  O  O36  1  0.51988100  0.61085500  0.12940900  1
  O  O37  1  0.24182500  0.65750100  0.67986000  1
  O  O38  1  0.23952900  0.82921400  0.34417300  1
  O  O39  1  0.05498400  0.42094300  0.41943200  1
  O  O40  1  0.12649300  0.18733300  0.36985600  1
  O  O41  1  0.15417600  0.49644300  0.08957800  1
  O  O42  1  0.09692200  0.70233900  0.17611300  1
  O  O43  1  0.01058700  0.10099400  0.14568200  1
