# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26550900
_cell_length_b   9.16345830
_cell_length_c   11.35404443
_cell_angle_alpha   113.11466550
_cell_angle_beta   103.02385955
_cell_angle_gamma   90.24135251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   488.26212576
_cell_formula_units_Z   1
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  0.82254100  0.49320300  0.34293600  1
  Li  Li1  1  0.32333100  0.98919700  0.33430300  1
  Li  Li2  1  0.60336800  0.24496100  0.83431000  1
  Fe  Fe3  1  0.64753300  0.64681100  0.62380600  1
  Fe  Fe4  1  0.38737600  0.06774200  0.11582300  1
  Fe  Fe5  1  0.83654400  0.84604500  0.37667800  1
  Fe  Fe6  1  0.10910900  0.44098400  0.87005700  1
  Fe  Fe7  1  0.89638000  0.56958100  0.12461300  1
  Fe  Fe8  1  0.13395600  0.14638900  0.61695200  1
  Fe  Fe9  1  0.33638000  0.34560200  0.37373800  1
  Fe  Fe10  1  0.62419600  0.93123700  0.87049200  1
  B  B11  1  0.64485500  0.31972300  0.62743800  1
  B  B12  1  0.38840700  0.39807400  0.12387800  1
  B  B13  1  0.84265100  0.18347600  0.37014100  1
  B  B14  1  0.10772400  0.11421400  0.87419700  1
  B  B15  1  0.15009500  0.81070800  0.62181500  1
  B  B16  1  0.89058000  0.89968800  0.12603100  1
  B  B17  1  0.34748000  0.68240200  0.37194300  1
  B  B18  1  0.60549200  0.59744800  0.86886200  1
  O  O19  1  0.15370600  0.93489500  0.14658500  1
  O  O20  1  0.30229500  0.28872600  0.16554800  1
  O  O21  1  0.20547600  0.47752000  0.06649000  1
  O  O22  1  0.46181200  0.81523900  0.37125900  1
  O  O23  1  0.49480800  0.57828100  0.41549000  1
  O  O24  1  0.57031400  0.14530800  0.32693600  1
  O  O25  1  0.91963400  0.32784900  0.67084500  1
  O  O26  1  0.65037500  0.43308000  0.14210500  1
  O  O27  1  0.80659000  0.78304200  0.16356900  1
  O  O28  1  0.04169800  0.92827300  0.58082900  1
  O  O29  1  0.99030400  0.68946000  0.61464400  1
  O  O30  1  0.70969600  0.98141700  0.07522300  1
  O  O31  1  0.27923400  0.02651600  0.92405200  1
  O  O32  1  0.96039100  0.31290800  0.36751200  1
  O  O33  1  0.99687100  0.08180800  0.41873200  1
  O  O34  1  0.22551400  0.21930500  0.82922600  1
  O  O35  1  0.34825000  0.58947300  0.87047900  1
  O  O36  1  0.07157000  0.64455200  0.32456300  1
  O  O37  1  0.42094200  0.81858700  0.66266500  1
  O  O38  1  0.53540100  0.42234000  0.57496600  1
  O  O39  1  0.49525700  0.20905600  0.64322300  1
  O  O40  1  0.76750100  0.49663200  0.91644700  1
  O  O41  1  0.71553200  0.69314000  0.82241100  1
  O  O42  1  0.84873100  0.10710800  0.86639900  1
