# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04158200
_cell_length_b   5.28525800
_cell_length_c   11.20364009
_cell_angle_alpha   64.09151776
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   481.57907108
_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  0.25635800  0.44239600  0.90929600  1
  Li  Li1  1  0.74364200  0.44239600  0.40929600  1
  Li  Li2  1  0.76088100  0.00462600  0.15196400  1
  Li  Li3  1  0.23911900  0.00462600  0.65196400  1
  Fe  Fe4  1  0.41746800  0.96662500  0.88205300  1
  Fe  Fe5  1  0.42115500  0.53409700  0.62759400  1
  Fe  Fe6  1  0.57884500  0.53409700  0.12759400  1
  Fe  Fe7  1  0.58253200  0.96662500  0.38205300  1
  Fe  Fe8  1  0.90068400  0.02876000  0.63658500  1
  Fe  Fe9  1  0.08753800  0.45755800  0.37416600  1
  Fe  Fe10  1  0.91246200  0.45755800  0.87416600  1
  Fe  Fe11  1  0.09931600  0.02876000  0.13658500  1
  B  B12  1  0.41565200  0.46240100  0.37799700  1
  B  B13  1  0.57388700  0.05355500  0.62231300  1
  B  B14  1  0.42611300  0.05355500  0.12231300  1
  B  B15  1  0.58434800  0.46240100  0.87799700  1
  B  B16  1  0.91277400  0.52601500  0.13270800  1
  B  B17  1  0.92062300  0.95291900  0.37702300  1
  B  B18  1  0.07937700  0.95291900  0.87702300  1
  B  B19  1  0.08722600  0.52601500  0.63270800  1
  O  O20  1  0.28414700  0.33853900  0.37712500  1
  O  O21  1  0.43567500  0.82876900  0.09059400  1
  O  O22  1  0.29741500  0.19896100  0.10335200  1
  O  O23  1  0.44336600  0.13344400  0.66538300  1
  O  O24  1  0.54613500  0.39184100  0.32980300  1
  O  O25  1  0.45386500  0.39184100  0.82980300  1
  O  O26  1  0.43028000  0.65130600  0.43224700  1
  O  O27  1  0.56972000  0.65130600  0.93224700  1
  O  O28  1  0.70258500  0.19896100  0.60335200  1
  O  O29  1  0.56432500  0.82876900  0.59059400  1
  O  O30  1  0.55663400  0.13344400  0.16538300  1
  O  O31  1  0.77822500  0.64354400  0.14122300  1
  O  O32  1  0.71585300  0.33853900  0.87712500  1
  O  O33  1  0.94913800  0.84425800  0.85145200  1
  O  O34  1  0.92627700  0.17661600  0.41289900  1
  O  O35  1  0.78643200  0.84733600  0.36156300  1
  O  O36  1  0.91910400  0.31694000  0.08704500  1
  O  O37  1  0.08089600  0.31694000  0.58704500  1
  O  O38  1  0.03924900  0.61382500  0.17485600  1
  O  O39  1  0.96075100  0.61382500  0.67485600  1
  O  O40  1  0.05086200  0.84425800  0.35145200  1
  O  O41  1  0.21356800  0.84733600  0.86156300  1
  O  O42  1  0.07372300  0.17661600  0.91289900  1
  O  O43  1  0.22177500  0.64354400  0.64122300  1
