# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06588900
_cell_length_b   5.26375000
_cell_length_c   11.36978232
_cell_angle_alpha   64.15724536
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   488.31188441
_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  0.25877700  0.50607400  0.15090300  1
  Li  Li1  1  0.24875800  0.44900500  0.89110700  1
  Li  Li2  1  0.75124200  0.44900500  0.39110700  1
  Li  Li3  1  0.74122300  0.50607400  0.65090300  1
  Fe  Fe4  1  0.41580200  0.96303200  0.87875000  1
  Fe  Fe5  1  0.41148400  0.53280300  0.63049400  1
  Fe  Fe6  1  0.58851600  0.53280300  0.13049400  1
  Fe  Fe7  1  0.58419800  0.96303200  0.37875000  1
  Fe  Fe8  1  0.91787700  0.02731100  0.62928800  1
  Fe  Fe9  1  0.08591100  0.46538300  0.37833700  1
  Fe  Fe10  1  0.91408900  0.46538300  0.87833700  1
  Fe  Fe11  1  0.08212300  0.02731100  0.12928800  1
  B  B12  1  0.41881800  0.47275900  0.37531800  1
  B  B13  1  0.58344700  0.04937100  0.62575800  1
  B  B14  1  0.41655300  0.04937100  0.12575800  1
  B  B15  1  0.58118200  0.47275900  0.87531800  1
  B  B16  1  0.91878300  0.52238500  0.13341900  1
  B  B17  1  0.91716200  0.94747700  0.38100800  1
  B  B18  1  0.08283800  0.94747700  0.88100800  1
  B  B19  1  0.08121700  0.52238500  0.63341900  1
  O  O20  1  0.28472500  0.39368100  0.34615600  1
  O  O21  1  0.42943500  0.81596200  0.09811500  1
  O  O22  1  0.28464900  0.19193600  0.10426100  1
  O  O23  1  0.46195000  0.13919200  0.67163400  1
  O  O24  1  0.54925000  0.38874200  0.33567500  1
  O  O25  1  0.45075000  0.38874200  0.83567500  1
  O  O26  1  0.42958600  0.64335600  0.43922900  1
  O  O27  1  0.57041400  0.64335600  0.93922900  1
  O  O28  1  0.71535100  0.19193600  0.60426100  1
  O  O29  1  0.57056500  0.81596200  0.59811500  1
  O  O30  1  0.53805000  0.13919200  0.17163400  1
  O  O31  1  0.78579800  0.60789000  0.15913100  1
  O  O32  1  0.71527500  0.39368100  0.84615600  1
  O  O33  1  0.95868000  0.86063800  0.83629300  1
  O  O34  1  0.92950200  0.17679500  0.41208700  1
  O  O35  1  0.78601000  0.80816200  0.39768000  1
  O  O36  1  0.93020400  0.35174600  0.06920500  1
  O  O37  1  0.06979600  0.35174600  0.56920500  1
  O  O38  1  0.04986000  0.60063200  0.17539600  1
  O  O39  1  0.95014000  0.60063200  0.67539600  1
  O  O40  1  0.04132000  0.86063800  0.33629300  1
  O  O41  1  0.21399000  0.80816200  0.89768000  1
  O  O42  1  0.07049800  0.17679500  0.91208700  1
  O  O43  1  0.21420200  0.60789000  0.65913100  1
