# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28313600
_cell_length_b   9.06982887
_cell_length_c   11.33064989
_cell_angle_alpha   113.25354701
_cell_angle_beta   102.16082216
_cell_angle_gamma   90.27683904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.28834193
_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  0.82569800  0.18292400  0.34419900  1
  Li  Li1  1  0.39135000  0.04017700  0.08887500  1
  Li  Li2  1  0.07066300  0.40306600  0.83421800  1
  Li  Li3  1  0.88825200  0.55391400  0.10381600  1
  Fe  Fe4  1  0.59341800  0.60434700  0.86467900  1
  Fe  Fe5  1  0.90320500  0.89972200  0.11837800  1
  Fe  Fe6  1  0.16161500  0.47349700  0.61601800  1
  Fe  Fe7  1  0.34716900  0.01404800  0.37442900  1
  Fe  Fe8  1  0.64955300  0.98122400  0.62926100  1
  Fe  Fe9  1  0.84786600  0.52599100  0.37052400  1
  Fe  Fe10  1  0.09642700  0.08363400  0.86632800  1
  Fe  Fe11  1  0.39424000  0.40148200  0.11984400  1
  B  B12  1  0.35204000  0.34603800  0.36571900  1
  B  B13  1  0.11260100  0.76180600  0.87940500  1
  B  B14  1  0.84889800  0.85904700  0.37122300  1
  B  B15  1  0.59352300  0.27582900  0.87037200  1
  B  B16  1  0.14200000  0.13703700  0.62248700  1
  B  B17  1  0.39515900  0.72874800  0.12174700  1
  B  B18  1  0.65887200  0.64663000  0.62106700  1
  B  B19  1  0.90283500  0.23315400  0.12862300  1
  O  O20  1  0.87516800  0.76751200  0.91512700  1
  O  O21  1  0.55636200  0.54705800  0.67208300  1
  O  O22  1  0.76733500  0.11271700  0.14299400  1
  O  O23  1  0.46423500  0.20962300  0.36549000  1
  O  O24  1  0.10907200  0.37410700  0.39850000  1
  O  O25  1  0.21257800  0.61118100  0.83499500  1
  O  O26  1  0.73367000  0.41612200  0.88609200  1
  O  O27  1  0.96601300  0.97313100  0.33772800  1
  O  O28  1  0.31363900  0.88547300  0.17202400  1
  O  O29  1  0.36317800  0.09382500  0.57037600  1
  O  O30  1  0.05139300  0.28179300  0.63972200  1
  O  O31  1  0.62544400  0.70995700  0.07663600  1
  O  O32  1  0.35490600  0.28509300  0.90483700  1
  O  O33  1  0.63065900  0.90000300  0.42306900  1
  O  O34  1  0.70281200  0.13119200  0.82378900  1
  O  O35  1  0.02405700  0.02639800  0.65625000  1
  O  O36  1  0.24832700  0.60047100  0.11422200  1
  O  O37  1  0.80622800  0.38559800  0.16238000  1
  O  O38  1  0.86926800  0.59872500  0.56252000  1
  O  O39  1  0.55048700  0.78372200  0.62862600  1
  O  O40  1  0.94019400  0.71329000  0.34728900  1
  O  O41  1  0.24800500  0.89926300  0.89738600  1
  O  O42  1  0.47699800  0.45311800  0.33209000  1
  O  O43  1  0.13249000  0.20781700  0.08607800  1
