# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24859000
_cell_length_b   9.14136416
_cell_length_c   11.30782167
_cell_angle_alpha   112.71046396
_cell_angle_beta   103.35783930
_cell_angle_gamma   90.05467985
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   484.47413019
_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  0.38158800  0.72491400  0.08748000  1
  Li  Li1  1  0.82703600  0.49487300  0.34597900  1
  Li  Li2  1  0.32213100  0.99683300  0.34289600  1
  Li  Li3  1  0.60478400  0.24372800  0.83328500  1
  Fe  Fe4  1  0.64948600  0.64786300  0.62801600  1
  Fe  Fe5  1  0.38685600  0.07367300  0.11832000  1
  Fe  Fe6  1  0.84090100  0.84456000  0.37905500  1
  Fe  Fe7  1  0.11154500  0.44298200  0.85902000  1
  Fe  Fe8  1  0.89554800  0.55949300  0.11950300  1
  Fe  Fe9  1  0.13103900  0.14665900  0.61956500  1
  Fe  Fe10  1  0.33484100  0.34887800  0.37363700  1
  Fe  Fe11  1  0.62177400  0.92901800  0.87069600  1
  B  B12  1  0.63870400  0.31690700  0.62147800  1
  B  B13  1  0.39426700  0.40536400  0.12812600  1
  B  B14  1  0.84312500  0.18130700  0.36836100  1
  B  B15  1  0.10700800  0.10999800  0.87295500  1
  B  B16  1  0.14935700  0.81063300  0.62247500  1
  B  B17  1  0.88977300  0.89370000  0.12358100  1
  B  B18  1  0.34678000  0.68180600  0.36860300  1
  B  B19  1  0.60841000  0.60087900  0.87649100  1
  O  O20  1  0.15809200  0.91527600  0.13839600  1
  O  O21  1  0.29027900  0.29122600  0.16101900  1
  O  O22  1  0.23508800  0.50705400  0.08560200  1
  O  O23  1  0.45955800  0.81219100  0.36197200  1
  O  O24  1  0.49851600  0.57894400  0.41298100  1
  O  O25  1  0.56636500  0.14605300  0.32430000  1
  O  O26  1  0.91138800  0.32049300  0.65316800  1
  O  O27  1  0.65971900  0.42367200  0.14238600  1
  O  O28  1  0.78592600  0.77433000  0.15427700  1
  O  O29  1  0.03732700  0.92704700  0.58087600  1
  O  O30  1  0.99083700  0.68941600  0.61684600  1
  O  O31  1  0.71573500  0.98626800  0.08170900  1
  O  O32  1  0.27732600  0.02172600  0.92728400  1
  O  O33  1  0.96080100  0.31145800  0.36655200  1
  O  O34  1  0.99526100  0.07572100  0.41292700  1
  O  O35  1  0.22266100  0.20866500  0.82447500  1
  O  O36  1  0.36451800  0.62113900  0.89710500  1
  O  O37  1  0.06945200  0.64706500  0.32502000  1
  O  O38  1  0.42195800  0.81873800  0.66193800  1
  O  O39  1  0.52193100  0.42686100  0.57612900  1
  O  O40  1  0.49109300  0.20650100  0.63863700  1
  O  O41  1  0.75788000  0.48901800  0.91583900  1
  O  O42  1  0.72500200  0.69074500  0.82435400  1
  O  O43  1  0.84725700  0.10346900  0.86780900  1
