# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28148800
_cell_length_b   9.11018452
_cell_length_c   10.11292504
_cell_angle_alpha   89.38250307
_cell_angle_beta   89.16794353
_cell_angle_gamma   89.01671695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   486.43680144
_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  0.18337100  0.16217200  0.15861600  1
  Li  Li1  1  0.33330900  0.32477500  0.88624100  1
  Li  Li2  1  0.68470300  0.66759800  0.15100000  1
  Li  Li3  1  0.82393700  0.83551000  0.41075800  1
  Fe  Fe4  1  0.17015700  0.83333200  0.63729500  1
  Fe  Fe5  1  0.18014700  0.49629300  0.13043100  1
  Fe  Fe6  1  0.31606500  0.99731400  0.87865700  1
  Fe  Fe7  1  0.32532100  0.65794600  0.37875600  1
  Fe  Fe8  1  0.67135700  0.33894200  0.62853800  1
  Fe  Fe9  1  0.68828200  0.99774700  0.12047200  1
  Fe  Fe10  1  0.82773400  0.16489900  0.38093700  1
  Fe  Fe11  1  0.82794000  0.50425400  0.87875500  1
  B  B12  1  0.16532800  0.49969500  0.63518700  1
  B  B13  1  0.17675800  0.83111300  0.13452200  1
  B  B14  1  0.33582500  0.99061800  0.37277700  1
  B  B15  1  0.32561300  0.65941200  0.87434700  1
  B  B16  1  0.66395400  0.99938300  0.62595600  1
  B  B17  1  0.66984100  0.33166300  0.12086700  1
  B  B18  1  0.83318600  0.50534800  0.38184900  1
  B  B19  1  0.83116800  0.17341700  0.88086900  1
  O  O20  1  0.08550100  0.50627200  0.33974400  1
  O  O21  1  0.08869600  0.17559800  0.88624100  1
  O  O22  1  0.19711700  0.78318300  0.82869800  1
  O  O23  1  0.22237400  0.85866700  0.42477900  1
  O  O24  1  0.18591600  0.10923400  0.34955000  1
  O  O25  1  0.18446000  0.53696100  0.91562200  1
  O  O26  1  0.32334300  0.38339200  0.65549000  1
  O  O27  1  0.30134200  0.95572500  0.09169500  1
  O  O28  1  0.25082400  0.63012300  0.57636300  1
  O  O29  1  0.32200100  0.70617400  0.17729700  1
  O  O30  1  0.41078300  0.32520000  0.10631800  1
  O  O31  1  0.41324600  0.98423100  0.66614300  1
  O  O32  1  0.59316400  0.98594700  0.34464500  1
  O  O33  1  0.58295100  0.65405300  0.88231800  1
  O  O34  1  0.69762300  0.30608000  0.83935500  1
  O  O35  1  0.73009300  0.38054700  0.43656100  1
  O  O36  1  0.68869900  0.63255200  0.36337300  1
  O  O37  1  0.68477900  0.05689400  0.91703300  1
  O  O38  1  0.79628000  0.46293600  0.08426500  1
  O  O39  1  0.82137800  0.87867600  0.60980700  1
  O  O40  1  0.75242300  0.13810500  0.59302500  1
  O  O41  1  0.80898900  0.21244800  0.16687900  1
  O  O42  1  0.91872300  0.82237200  0.13884400  1
  O  O43  1  0.91119100  0.49647200  0.67761300  1
