# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20461700
_cell_length_b   9.22328723
_cell_length_c   10.20200418
_cell_angle_alpha   90.78782739
_cell_angle_beta   90.62063379
_cell_angle_gamma   90.56675575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   489.63400471
_cell_formula_units_Z   2
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  0.84212200  0.17632700  0.34860200  1
  Li  Li1  1  0.65748400  0.32842900  0.63152100  1
  Fe  Fe2  1  0.83647200  0.83100100  0.37214400  1
  Fe  Fe3  1  0.83000900  0.50854100  0.87113300  1
  Fe  Fe4  1  0.67573000  0.98950300  0.12067400  1
  Fe  Fe5  1  0.67120000  0.67006600  0.62207100  1
  Fe  Fe6  1  0.33241000  0.34439900  0.37405600  1
  Fe  Fe7  1  0.33722700  0.00618300  0.86769300  1
  Fe  Fe8  1  0.16190400  0.15256500  0.61795900  1
  Fe  Fe9  1  0.16494500  0.49290700  0.12460200  1
  B  B10  1  0.84331000  0.49856800  0.37893500  1
  B  B11  1  0.84048400  0.83385500  0.87201600  1
  B  B12  1  0.65303300  0.00091700  0.61546000  1
  B  B13  1  0.66420200  0.66424400  0.12331200  1
  B  B14  1  0.32964800  0.00342400  0.36565200  1
  B  B15  1  0.32249200  0.33322300  0.86630200  1
  B  B16  1  0.17532900  0.49414000  0.62669500  1
  B  B17  1  0.18382800  0.16634800  0.12517400  1
  O  O18  1  0.91252800  0.50008500  0.66604700  1
  O  O19  1  0.93081300  0.13505500  0.15034200  1
  O  O20  1  0.77663700  0.79257200  0.17528200  1
  O  O21  1  0.75406000  0.86952600  0.56621700  1
  O  O22  1  0.77823700  0.12981000  0.59938300  1
  O  O23  1  0.82633300  0.56334700  0.06352400  1
  O  O24  1  0.71487000  0.37123500  0.39870400  1
  O  O25  1  0.67528200  0.93503300  0.92883000  1
  O  O26  1  0.75111900  0.63191100  0.42810000  1
  O  O27  1  0.72978800  0.70610800  0.81849000  1
  O  O28  1  0.57414000  0.36505900  0.83888500  1
  O  O29  1  0.59336500  0.00113900  0.32648700  1
  O  O30  1  0.41644600  0.99442300  0.67647700  1
  O  O31  1  0.41183200  0.64042200  0.13070800  1
  O  O32  1  0.29309800  0.29878900  0.16109400  1
  O  O33  1  0.27157000  0.36349500  0.58410800  1
  O  O34  1  0.32614500  0.61601200  0.63187200  1
  O  O35  1  0.34137700  0.06175700  0.06807900  1
  O  O36  1  0.16616500  0.43834800  0.92472100  1
  O  O37  1  0.18558000  0.87891100  0.36227800  1
  O  O38  1  0.22496900  0.13313300  0.40625200  1
  O  O39  1  0.21261300  0.20075100  0.83198000  1
  O  O40  1  0.09316800  0.85722000  0.86953600  1
  O  O41  1  0.07626700  0.50054800  0.31467500  1
