# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25362200
_cell_length_b   5.27075832
_cell_length_c   20.15986901
_cell_angle_alpha   90.45727999
_cell_angle_beta   90.29283406
_cell_angle_gamma   119.56383538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.51757925
_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  0.67389300  0.64934800  0.32937400  1
  Li  Li1  1  0.64340100  0.67056900  0.08184300  1
  Li  Li2  1  0.66850200  0.64383000  0.83104200  1
  Li  Li3  1  0.34516000  0.35390200  0.45700100  1
  Fe  Fe4  1  0.01193000  0.67328600  0.18966200  1
  Fe  Fe5  1  0.99507100  0.67100300  0.69139300  1
  Fe  Fe6  1  0.31570800  0.01222700  0.06374600  1
  Fe  Fe7  1  0.32490100  0.99772200  0.56766700  1
  Fe  Fe8  1  0.67910000  0.00448300  0.44052500  1
  Fe  Fe9  1  0.67503700  0.01388400  0.94058900  1
  Fe  Fe10  1  0.00879300  0.31932200  0.31262200  1
  Fe  Fe11  1  0.01079700  0.31445700  0.81256100  1
  B  B12  1  0.99698700  0.34121600  0.06406300  1
  B  B13  1  0.99662200  0.33815000  0.56517400  1
  B  B14  1  0.66986600  0.00755100  0.18670100  1
  B  B15  1  0.66034800  0.00225800  0.68806700  1
  B  B16  1  0.34132100  0.99789800  0.31312700  1
  B  B17  1  0.34178500  0.99610900  0.81401200  1
  B  B18  1  0.00812200  0.66728100  0.43996600  1
  B  B19  1  0.00774400  0.66975000  0.93700100  1
  O  O20  1  0.89224400  0.27343700  0.20973100  1
  O  O21  1  0.88508200  0.27133200  0.70926600  1
  O  O22  1  0.74442100  0.08268400  0.04246300  1
  O  O23  1  0.96541000  0.57936700  0.08520200  1
  O  O24  1  0.72425900  0.10959100  0.54651100  1
  O  O25  1  0.01437900  0.59880200  0.58721200  1
  O  O26  1  0.40058500  0.97838200  0.16890700  1
  O  O27  1  0.74600400  0.66453000  0.43073500  1
  O  O28  1  0.39449500  0.98548500  0.66785400  1
  O  O29  1  0.77460700  0.71597000  0.92871600  1
  O  O30  1  0.71256300  0.77257600  0.17886900  1
  O  O31  1  0.69224400  0.76175200  0.68826600  1
  O  O32  1  0.35136500  0.26128600  0.31778100  1
  O  O33  1  0.35454700  0.25902100  0.81460700  1
  O  O34  1  0.26283700  0.35686600  0.06494400  1
  O  O35  1  0.58402000  0.97150600  0.33113400  1
  O  O36  1  0.24161500  0.30994100  0.55834700  1
  O  O37  1  0.58089100  0.96735800  0.83588600  1
  O  O38  1  0.02974500  0.42197000  0.42366200  1
  O  O39  1  0.97719000  0.40156600  0.91856200  1
  O  O40  1  0.25611400  0.91950200  0.46460100  1
  O  O41  1  0.27287700  0.88835600  0.96165900  1
  O  O42  1  0.07962100  0.74593200  0.29166900  1
  O  O43  1  0.08601500  0.74170300  0.79171600  1
