# generated using pymatgen
data_LiFeBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02972300
_cell_length_b   10.34733200
_cell_length_c   10.48650609
_cell_angle_alpha   88.64205684
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeBO3
_chemical_formula_sum   'Li16 Fe16 B16 O48'
_cell_volume   979.51623437
_cell_formula_units_Z   16
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  0.75979900  0.66084700  0.54222600  1
  Li  Li1  1  0.74020100  0.16084700  0.54222600  1
  Li  Li2  1  0.25979900  0.83915300  0.45777400  1
  Li  Li3  1  0.24020100  0.33915300  0.45777400  1
  Li  Li4  1  0.24406100  0.59120800  0.29476500  1
  Li  Li5  1  0.25593900  0.09120800  0.29476500  1
  Li  Li6  1  0.75844400  0.83867100  0.20649300  1
  Li  Li7  1  0.74155600  0.33867100  0.20649300  1
  Li  Li8  1  0.74324300  0.58965500  0.04501600  1
  Li  Li9  1  0.75675700  0.08965500  0.04501600  1
  Li  Li10  1  0.24324300  0.91034500  0.95498400  1
  Li  Li11  1  0.25675700  0.41034500  0.95498400  1
  Li  Li12  1  0.25844400  0.66132900  0.79350700  1
  Li  Li13  1  0.24155600  0.16132900  0.79350700  1
  Li  Li14  1  0.74406100  0.90879200  0.70523500  1
  Li  Li15  1  0.75593900  0.40879200  0.70523500  1
  Fe  Fe16  1  0.08632600  0.62024700  0.55067600  1
  Fe  Fe17  1  0.41367400  0.12024700  0.55067600  1
  Fe  Fe18  1  0.58632600  0.87975300  0.44932400  1
  Fe  Fe19  1  0.91367400  0.37975300  0.44932400  1
  Fe  Fe20  1  0.58436500  0.62198200  0.29915300  1
  Fe  Fe21  1  0.91563500  0.12198200  0.29915300  1
  Fe  Fe22  1  0.08936300  0.87526800  0.20567500  1
  Fe  Fe23  1  0.41063700  0.37526800  0.20567500  1
  Fe  Fe24  1  0.08408600  0.63015200  0.04455200  1
  Fe  Fe25  1  0.41591400  0.13015200  0.04455200  1
  Fe  Fe26  1  0.58408600  0.86984800  0.95544800  1
  Fe  Fe27  1  0.91591400  0.36984800  0.95544800  1
  Fe  Fe28  1  0.58936300  0.62473200  0.79432500  1
  Fe  Fe29  1  0.91063700  0.12473200  0.79432500  1
  Fe  Fe30  1  0.08436500  0.87801800  0.70084700  1
  Fe  Fe31  1  0.41563500  0.37801800  0.70084700  1
  B  B32  1  0.41622900  0.62896700  0.54319500  1
  B  B33  1  0.08377100  0.12896700  0.54319500  1
  B  B34  1  0.91622900  0.87103300  0.45680500  1
  B  B35  1  0.58377100  0.37103300  0.45680500  1
  B  B36  1  0.91700600  0.62990800  0.29190900  1
  B  B37  1  0.58299400  0.12990800  0.29190900  1
  B  B38  1  0.41649100  0.87925800  0.20703000  1
  B  B39  1  0.08350900  0.37925800  0.20703000  1
  B  B40  1  0.41607200  0.62108800  0.04170600  1
  B  B41  1  0.08392800  0.12108800  0.04170600  1
  B  B42  1  0.91607200  0.87891200  0.95829400  1
  B  B43  1  0.58392800  0.37891200  0.95829400  1
  B  B44  1  0.91649100  0.62074200  0.79297000  1
  B  B45  1  0.58350900  0.12074200  0.79297000  1
  B  B46  1  0.41700600  0.87009200  0.70809100  1
  B  B47  1  0.08299400  0.37009200  0.70809100  1
  O  O48  1  0.41274400  0.90884300  0.57973800  1
  O  O49  1  0.08725600  0.40884300  0.57973800  1
  O  O50  1  0.78814500  0.85841600  0.52950200  1
  O  O51  1  0.71185500  0.35841600  0.52950200  1
  O  O52  1  0.05268900  0.84275600  0.51365600  1
  O  O53  1  0.44731100  0.34275600  0.51365600  1
  O  O54  1  0.55268900  0.65724400  0.48634400  1
  O  O55  1  0.94731100  0.15724400  0.48634400  1
  O  O56  1  0.28814500  0.64158400  0.47049800  1
  O  O57  1  0.21185500  0.14158400  0.47049800  1
  O  O58  1  0.91274400  0.59115700  0.42026200  1
  O  O59  1  0.58725600  0.09115700  0.42026200  1
  O  O60  1  0.90916500  0.90812700  0.32806200  1
  O  O61  1  0.59083500  0.40812700  0.32806200  1
  O  O62  1  0.29111200  0.89195400  0.28332900  1
  O  O63  1  0.20888800  0.39195400  0.28332900  1
  O  O64  1  0.55025200  0.84158800  0.26338800  1
  O  O65  1  0.94974800  0.34158800  0.26338800  1
  O  O66  1  0.05334000  0.65999900  0.23416100  1
  O  O67  1  0.44666000  0.15999900  0.23416100  1
  O  O68  1  0.78843500  0.64177100  0.22041000  1
  O  O69  1  0.71156500  0.14177100  0.22041000  1
  O  O70  1  0.41178500  0.58995200  0.17173600  1
  O  O71  1  0.08821500  0.08995200  0.17173600  1
  O  O72  1  0.40936900  0.90924200  0.07746000  1
  O  O73  1  0.09063100  0.40924200  0.07746000  1
  O  O74  1  0.78991600  0.89075600  0.03262000  1
  O  O75  1  0.71008400  0.39075600  0.03262000  1
  O  O76  1  0.05036300  0.84121000  0.01532000  1
  O  O77  1  0.44963700  0.34121000  0.01532000  1
  O  O78  1  0.55036300  0.65879000  0.98468000  1
  O  O79  1  0.94963700  0.15879000  0.98468000  1
  O  O80  1  0.28991600  0.60924400  0.96738000  1
  O  O81  1  0.21008400  0.10924400  0.96738000  1
  O  O82  1  0.90936900  0.59075800  0.92254000  1
  O  O83  1  0.59063100  0.09075800  0.92254000  1
  O  O84  1  0.91178500  0.91004800  0.82826400  1
  O  O85  1  0.58821500  0.41004800  0.82826400  1
  O  O86  1  0.28843500  0.85822900  0.77959000  1
  O  O87  1  0.21156500  0.35822900  0.77959000  1
  O  O88  1  0.55334000  0.84000100  0.76583900  1
  O  O89  1  0.94666000  0.34000100  0.76583900  1
  O  O90  1  0.05025200  0.65841200  0.73661200  1
  O  O91  1  0.44974800  0.15841200  0.73661200  1
  O  O92  1  0.79111200  0.60804600  0.71667100  1
  O  O93  1  0.70888800  0.10804600  0.71667100  1
  O  O94  1  0.40916500  0.59187300  0.67193800  1
  O  O95  1  0.09083500  0.09187300  0.67193800  1
