# generated using pymatgen
data_LiFe4(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23909000
_cell_length_b   9.19429110
_cell_length_c   10.12721086
_cell_angle_alpha   89.19811944
_cell_angle_beta   89.66104513
_cell_angle_gamma   88.79150875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe4(BO3)4
_chemical_formula_sum   'Li2 Fe8 B8 O24'
_cell_volume   487.66091686
_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  0.18579500  0.16735100  0.16084600  1
  Li  Li1  1  0.33279800  0.32742300  0.89956600  1
  Fe  Fe2  1  0.16797500  0.83333500  0.63093200  1
  Fe  Fe3  1  0.18418400  0.50560700  0.13127500  1
  Fe  Fe4  1  0.31040400  0.99597800  0.87373300  1
  Fe  Fe5  1  0.33147600  0.66333700  0.37561300  1
  Fe  Fe6  1  0.66985800  0.33708000  0.62572000  1
  Fe  Fe7  1  0.67119100  0.99893700  0.12253300  1
  Fe  Fe8  1  0.82308100  0.15996300  0.38324600  1
  Fe  Fe9  1  0.83336400  0.50103200  0.87832200  1
  B  B10  1  0.16093000  0.50028800  0.62778000  1
  B  B11  1  0.16863300  0.83824000  0.13529700  1
  B  B12  1  0.33680000  0.99551400  0.37607500  1
  B  B13  1  0.33403800  0.66119200  0.87075600  1
  B  B14  1  0.65684900  0.99811400  0.62708600  1
  B  B15  1  0.67538900  0.32292400  0.11960300  1
  B  B16  1  0.84225600  0.49829000  0.37893200  1
  B  B17  1  0.82562500  0.17702200  0.88367500  1
  O  O18  1  0.09520300  0.50463500  0.33800300  1
  O  O19  1  0.08405600  0.17471100  0.88785100  1
  O  O20  1  0.20750800  0.78613300  0.82714600  1
  O  O21  1  0.25731600  0.86543000  0.43089300  1
  O  O22  1  0.17291900  0.11192400  0.35698200  1
  O  O23  1  0.19180300  0.54025200  0.91366400  1
  O  O24  1  0.32163500  0.38310300  0.63991200  1
  O  O25  1  0.31074700  0.95965500  0.09378700  1
  O  O26  1  0.24082900  0.63201200  0.57458800  1
  O  O27  1  0.29300100  0.71270600  0.17910400  1
  O  O28  1  0.41440900  0.32485400  0.11053700  1
  O  O29  1  0.40352800  0.99200700  0.66625000  1
  O  O30  1  0.58920600  0.00808300  0.33135100  1
  O  O31  1  0.59264800  0.65031300  0.87329800  1
  O  O32  1  0.68983600  0.30207500  0.83241000  1
  O  O33  1  0.75545000  0.36261000  0.42901500  1
  O  O34  1  0.67927300  0.61322100  0.37466400  1
  O  O35  1  0.67460300  0.06605100  0.93254600  1
  O  O36  1  0.82502000  0.43325200  0.07065300  1
  O  O37  1  0.82030900  0.88352200  0.63155900  1
  O  O38  1  0.74450100  0.13424500  0.57769800  1
  O  O39  1  0.80557500  0.19877300  0.17488100  1
  O  O40  1  0.90978400  0.84930700  0.13211900  1
  O  O41  1  0.90830900  0.49005500  0.67402200  1
