# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27569200
_cell_length_b   9.11362129
_cell_length_c   11.35907006
_cell_angle_alpha   113.53310783
_cell_angle_beta   103.05838085
_cell_angle_gamma   89.73798920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.53149555
_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  0.83225600  0.18359100  0.34633200  1
  Li  Li1  1  0.39388600  0.04902500  0.10362000  1
  Li  Li2  1  0.07115100  0.41018100  0.83875000  1
  Li  Li3  1  0.57045900  0.90506600  0.83435900  1
  Fe  Fe4  1  0.60057900  0.58822900  0.86896300  1
  Fe  Fe5  1  0.90514200  0.88539500  0.12162300  1
  Fe  Fe6  1  0.15720000  0.47766700  0.61410200  1
  Fe  Fe7  1  0.34280800  0.02183400  0.37549200  1
  Fe  Fe8  1  0.65445600  0.97732300  0.61814200  1
  Fe  Fe9  1  0.85255100  0.53384000  0.36679800  1
  Fe  Fe10  1  0.09161800  0.09520200  0.87279400  1
  Fe  Fe11  1  0.39773200  0.40400700  0.12821000  1
  B  B12  1  0.35237500  0.34594100  0.36426600  1
  B  B13  1  0.10517200  0.76931500  0.87543300  1
  B  B14  1  0.85485800  0.85763500  0.37106400  1
  B  B15  1  0.59466400  0.26550800  0.87464800  1
  B  B16  1  0.15241800  0.14736500  0.62913800  1
  B  B17  1  0.39803000  0.72904000  0.11730500  1
  B  B18  1  0.65848000  0.64257800  0.62314600  1
  B  B19  1  0.89722500  0.22606400  0.12393600  1
  O  O20  1  0.86961900  0.78984000  0.91606200  1
  O  O21  1  0.52599000  0.53978700  0.65744400  1
  O  O22  1  0.78776500  0.09280300  0.13266300  1
  O  O23  1  0.47763900  0.21158600  0.35540500  1
  O  O24  1  0.12191800  0.37085400  0.41157200  1
  O  O25  1  0.18637900  0.61538300  0.82362900  1
  O  O26  1  0.73183200  0.38584400  0.86727500  1
  O  O27  1  0.93508500  0.96565200  0.31917400  1
  O  O28  1  0.28232300  0.87565500  0.15448300  1
  O  O29  1  0.36840900  0.09772800  0.58012400  1
  O  O30  1  0.06613900  0.29349200  0.64117300  1
  O  O31  1  0.62389300  0.72701700  0.07409700  1
  O  O32  1  0.36217300  0.29126900  0.91966000  1
  O  O33  1  0.64253600  0.90083100  0.42837600  1
  O  O34  1  0.68038100  0.11015400  0.83409900  1
  O  O35  1  0.02383900  0.04993900  0.66989000  1
  O  O36  1  0.28744800  0.59591600  0.11716100  1
  O  O37  1  0.77019100  0.36336000  0.15283700  1
  O  O38  1  0.87343600  0.59496800  0.57231100  1
  O  O39  1  0.57961000  0.79346000  0.64776900  1
  O  O40  1  0.97886500  0.72910100  0.36311400  1
  O  O41  1  0.25530300  0.90389700  0.89307400  1
  O  O42  1  0.44519400  0.45521900  0.32242500  1
  O  O43  1  0.13722500  0.21821100  0.08918300  1
