# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23053400
_cell_length_b   9.15064025
_cell_length_c   10.12924086
_cell_angle_alpha   88.56661085
_cell_angle_beta   89.38312705
_cell_angle_gamma   89.46813689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   484.61367330
_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  0.15408100  0.16928300  0.64631900  1
  Li  Li1  1  0.33445200  0.31942700  0.90806900  1
  Li  Li2  1  0.67998300  0.67094700  0.13908000  1
  Li  Li3  1  0.82641300  0.83476100  0.40845000  1
  Fe  Fe4  1  0.16637500  0.83027700  0.63345200  1
  Fe  Fe5  1  0.18187300  0.48738200  0.13523600  1
  Fe  Fe6  1  0.33327100  0.98583300  0.88056700  1
  Fe  Fe7  1  0.33199100  0.65381500  0.38225900  1
  Fe  Fe8  1  0.64800400  0.35132100  0.62352700  1
  Fe  Fe9  1  0.68117200  0.00840100  0.12814100  1
  Fe  Fe10  1  0.82855000  0.17328500  0.37525700  1
  Fe  Fe11  1  0.83019000  0.50580200  0.87251000  1
  B  B12  1  0.15221300  0.49729800  0.63084800  1
  B  B13  1  0.17202100  0.82660500  0.13204500  1
  B  B14  1  0.33112800  0.99453600  0.38149300  1
  B  B15  1  0.33251400  0.66140600  0.88177900  1
  B  B16  1  0.67048800  0.00701700  0.62413500  1
  B  B17  1  0.66774100  0.33659000  0.12486300  1
  B  B18  1  0.83689400  0.50140500  0.37506100  1
  B  B19  1  0.82934900  0.16950700  0.87580800  1
  O  O20  1  0.09459200  0.50074000  0.34272300  1
  O  O21  1  0.09058200  0.15189800  0.85914900  1
  O  O22  1  0.21238800  0.79036000  0.84101400  1
  O  O23  1  0.23091200  0.85614000  0.41486600  1
  O  O24  1  0.17409200  0.11284800  0.38589100  1
  O  O25  1  0.18746400  0.53619600  0.91221100  1
  O  O26  1  0.27510000  0.36502600  0.63974200  1
  O  O27  1  0.31345900  0.94001600  0.07409000  1
  O  O28  1  0.27102600  0.62098200  0.57686200  1
  O  O29  1  0.31053900  0.70145000  0.17711400  1
  O  O30  1  0.41384300  0.32679800  0.09862200  1
  O  O31  1  0.41827400  0.00812100  0.67662000  1
  O  O32  1  0.59256100  0.00419400  0.34980300  1
  O  O33  1  0.59020000  0.65502000  0.89615500  1
  O  O34  1  0.70939300  0.30458100  0.84833700  1
  O  O35  1  0.72296400  0.37268000  0.41750700  1
  O  O36  1  0.69640500  0.62965200  0.36294300  1
  O  O37  1  0.67660600  0.05601300  0.91985000  1
  O  O38  1  0.80329000  0.46447700  0.08947600  1
  O  O39  1  0.80261400  0.88075500  0.60567200  1
  O  O40  1  0.78080300  0.14213600  0.58511400  1
  O  O41  1  0.79763600  0.21671800  0.18151900  1
  O  O42  1  0.91250200  0.83383500  0.14666400  1
  O  O43  1  0.90048000  0.51089000  0.67764500  1
