# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32322200
_cell_length_b   8.99074342
_cell_length_c   9.98786277
_cell_angle_alpha   89.20877363
_cell_angle_beta   88.01651047
_cell_angle_gamma   89.81390894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   477.68255377
_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  0.66706200  0.98984700  0.84822400  1
  Li  Li1  1  0.34534600  0.00034900  0.09675300  1
  Li  Li2  1  0.16124900  0.49002300  0.85583100  1
  Li  Li3  1  0.35832300  0.00647800  0.57998400  1
  Fe  Fe4  1  0.83714400  0.82687000  0.12491800  1
  Fe  Fe5  1  0.14836200  0.83512000  0.37107400  1
  Fe  Fe6  1  0.66804100  0.65309800  0.87198300  1
  Fe  Fe7  1  0.34634000  0.66516800  0.62279200  1
  Fe  Fe8  1  0.66044900  0.32451700  0.36121000  1
  Fe  Fe9  1  0.84802300  0.18156800  0.61752300  1
  Fe  Fe10  1  0.33340100  0.34349800  0.12439400  1
  Fe  Fe11  1  0.15373100  0.16377600  0.87367000  1
  B  B12  1  0.83890400  0.84041800  0.62770100  1
  B  B13  1  0.65360000  0.65968800  0.37060200  1
  B  B14  1  0.17156400  0.83147600  0.87177400  1
  B  B15  1  0.32736300  0.67741700  0.11534700  1
  B  B16  1  0.66245300  0.32819300  0.86555100  1
  B  B17  1  0.33928000  0.32543000  0.62370400  1
  B  B18  1  0.83910500  0.15911700  0.12403600  1
  B  B19  1  0.17973600  0.17399500  0.37858100  1
  O  O20  1  0.72042100  0.97832100  0.63430700  1
  O  O21  1  0.91611800  0.83202400  0.91001400  1
  O  O22  1  0.31368600  0.95793500  0.88179700  1
  O  O23  1  0.78772800  0.78451500  0.32137600  1
  O  O24  1  0.69805100  0.71484300  0.65988500  1
  O  O25  1  0.20091400  0.81099600  0.15467600  1
  O  O26  1  0.09454100  0.82994100  0.59393800  1
  O  O27  1  0.57943000  0.69566000  0.07386900  1
  O  O28  1  0.75619100  0.52298500  0.36082700  1
  O  O29  1  0.41550300  0.68427900  0.43033200  1
  O  O30  1  0.28114300  0.69796300  0.82618000  1
  O  O31  1  0.80692600  0.45140300  0.86889200  1
  O  O32  1  0.20753200  0.54779500  0.11003600  1
  O  O33  1  0.71267000  0.28452200  0.17165800  1
  O  O34  1  0.57754700  0.30575700  0.56290700  1
  O  O35  1  0.24517100  0.46190400  0.65186000  1
  O  O36  1  0.41252600  0.32375400  0.90996300  1
  O  O37  1  0.92663900  0.19301200  0.42675300  1
  O  O38  1  0.77718700  0.19513300  0.81381100  1
  O  O39  1  0.30363400  0.30014500  0.33114100  1
  O  O40  1  0.20544300  0.19387300  0.65987400  1
  O  O41  1  0.70702000  0.02756400  0.11108700  1
  O  O42  1  0.09229100  0.16536000  0.08301300  1
  O  O43  1  0.28935600  0.03796200  0.38766400  1
