# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30424700
_cell_length_b   9.06492037
_cell_length_c   10.18466977
_cell_angle_alpha   89.20820110
_cell_angle_beta   88.67132395
_cell_angle_gamma   89.47927612
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   489.50791926
_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  0.66151800  0.98741300  0.85078000  1
  Li  Li1  1  0.34680800  0.00138800  0.12967300  1
  Li  Li2  1  0.85328500  0.50122500  0.58931100  1
  Li  Li3  1  0.16025600  0.49420200  0.85177700  1
  Fe  Fe4  1  0.84287100  0.83449000  0.12019500  1
  Fe  Fe5  1  0.15771900  0.82887700  0.36438300  1
  Fe  Fe6  1  0.66231700  0.65513900  0.87777600  1
  Fe  Fe7  1  0.34807700  0.67549300  0.61992100  1
  Fe  Fe8  1  0.65896200  0.33759900  0.36284900  1
  Fe  Fe9  1  0.84331500  0.16466300  0.62036700  1
  Fe  Fe10  1  0.33175800  0.33960400  0.12428600  1
  Fe  Fe11  1  0.16041700  0.15759400  0.87227700  1
  B  B12  1  0.84062900  0.82928600  0.62370900  1
  B  B13  1  0.67756400  0.66893000  0.38222400  1
  B  B14  1  0.16687600  0.83179400  0.86899800  1
  B  B15  1  0.34505400  0.66690500  0.12113000  1
  B  B16  1  0.66284500  0.32784300  0.86607000  1
  B  B17  1  0.33604400  0.33678400  0.62821700  1
  B  B18  1  0.82560400  0.17029600  0.11440300  1
  B  B19  1  0.15794600  0.16508500  0.36446400  1
  O  O20  1  0.74012000  0.96489700  0.65054300  1
  O  O21  1  0.91314100  0.82710900  0.90159800  1
  O  O22  1  0.30705100  0.95578000  0.88719800  1
  O  O23  1  0.80672200  0.79005500  0.33190100  1
  O  O24  1  0.70875500  0.69940200  0.65385000  1
  O  O25  1  0.22202500  0.79489400  0.16905100  1
  O  O26  1  0.08223000  0.81410900  0.56787000  1
  O  O27  1  0.58851100  0.67974900  0.07521200  1
  O  O28  1  0.78614800  0.53498000  0.40126600  1
  O  O29  1  0.42344300  0.69220400  0.42385900  1
  O  O30  1  0.28541300  0.70261200  0.81804100  1
  O  O31  1  0.80388900  0.45275400  0.85491700  1
  O  O32  1  0.21766100  0.53614900  0.11591500  1
  O  O33  1  0.69280200  0.29674500  0.15228000  1
  O  O34  1  0.58824100  0.32216700  0.58981300  1
  O  O35  1  0.22482600  0.47590200  0.63765900  1
  O  O36  1  0.40981600  0.33135300  0.91209400  1
  O  O37  1  0.92555700  0.18333300  0.43026700  1
  O  O38  1  0.77194500  0.19248900  0.82647300  1
  O  O39  1  0.28892800  0.28961500  0.31988100  1
  O  O40  1  0.19125900  0.21507900  0.66303300  1
  O  O41  1  0.70667300  0.03875500  0.10332700  1
  O  O42  1  0.08740700  0.18113600  0.08390200  1
  O  O43  1  0.25471800  0.02781000  0.33875300  1
