# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24991200
_cell_length_b   9.08730767
_cell_length_c   10.20399716
_cell_angle_alpha   89.21346834
_cell_angle_beta   89.95162087
_cell_angle_gamma   89.52470221
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   486.74511783
_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  0.18014200  0.16614200  0.15718200  1
  Li  Li1  1  0.32050400  0.32977400  0.41696800  1
  Li  Li2  1  0.33648500  0.32754500  0.90799000  1
  Li  Li3  1  0.66029200  0.67728800  0.65590600  1
  Fe  Fe4  1  0.15022700  0.84822200  0.62895400  1
  Fe  Fe5  1  0.18286500  0.50661200  0.13198800  1
  Fe  Fe6  1  0.31891000  0.99103800  0.87411900  1
  Fe  Fe7  1  0.32990100  0.67336200  0.37667600  1
  Fe  Fe8  1  0.68193100  0.33254100  0.63109000  1
  Fe  Fe9  1  0.66931500  0.99391300  0.12851400  1
  Fe  Fe10  1  0.83772600  0.14650400  0.38395100  1
  Fe  Fe11  1  0.82847600  0.50734100  0.88926700  1
  B  B12  1  0.17588600  0.50415200  0.62015000  1
  B  B13  1  0.16529600  0.83720800  0.13050600  1
  B  B14  1  0.34328500  0.99944600  0.37067200  1
  B  B15  1  0.33256900  0.66237000  0.87089600  1
  B  B16  1  0.65420100  0.00023500  0.63535700  1
  B  B17  1  0.67586800  0.32393100  0.12441300  1
  B  B18  1  0.82741800  0.49632200  0.38407100  1
  B  B19  1  0.82036900  0.16694000  0.88053200  1
  O  O20  1  0.09119800  0.49906800  0.35375800  1
  O  O21  1  0.08170800  0.15871800  0.88703900  1
  O  O22  1  0.19509600  0.79395500  0.84733900  1
  O  O23  1  0.23553600  0.87445900  0.42382600  1
  O  O24  1  0.21334000  0.13204100  0.36269700  1
  O  O25  1  0.20692300  0.53786800  0.91913300  1
  O  O26  1  0.32255300  0.37712300  0.61958200  1
  O  O27  1  0.30751100  0.95959800  0.08320800  1
  O  O28  1  0.28503000  0.63772900  0.58291300  1
  O  O29  1  0.29162500  0.71555800  0.18230300  1
  O  O30  1  0.41141500  0.32340300  0.11617900  1
  O  O31  1  0.40721800  0.00735100  0.68679200  1
  O  O32  1  0.58882800  0.99172800  0.32077000  1
  O  O33  1  0.58355200  0.65727500  0.84155200  1
  O  O34  1  0.69519200  0.29276900  0.83057100  1
  O  O35  1  0.71977500  0.36159200  0.42578700  1
  O  O36  1  0.67864000  0.61885500  0.37853400  1
  O  O37  1  0.66584000  0.05368300  0.92859700  1
  O  O38  1  0.81524700  0.44394400  0.08947900  1
  O  O39  1  0.78063300  0.87118700  0.62570500  1
  O  O40  1  0.76316800  0.13101400  0.58937300  1
  O  O41  1  0.80711400  0.19326000  0.16294400  1
  O  O42  1  0.90890600  0.84451400  0.12543700  1
  O  O43  1  0.91871000  0.49884900  0.65576500  1
