# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27561100
_cell_length_b   9.12441294
_cell_length_c   11.35148110
_cell_angle_alpha   113.46702352
_cell_angle_beta   102.54336327
_cell_angle_gamma   90.64821678
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   486.33892159
_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  0.72528300  0.08685700  0.83625000  1
  Li  Li1  1  0.01648800  0.34745100  0.33820300  1
  Li  Li2  1  0.23214700  0.58526600  0.84170100  1
  Fe  Fe3  1  0.98777000  0.97140100  0.62258600  1
  Fe  Fe4  1  0.72594500  0.05051200  0.11638500  1
  Fe  Fe5  1  0.53683800  0.53494800  0.37064800  1
  Fe  Fe6  1  0.74911600  0.43194900  0.87469100  1
  Fe  Fe7  1  0.23306000  0.56250200  0.12233300  1
  Fe  Fe8  1  0.49138200  0.47321700  0.62006100  1
  Fe  Fe9  1  0.01981700  0.01564300  0.37026900  1
  Fe  Fe10  1  0.24888400  0.93368800  0.87518100  1
  B  B11  1  0.97971700  0.30614100  0.62210700  1
  B  B12  1  0.72968600  0.72651000  0.12153600  1
  B  B13  1  0.51481900  0.18925600  0.37213500  1
  B  B14  1  0.76438900  0.76480500  0.87031900  1
  B  B15  1  0.48021600  0.80953300  0.62760500  1
  B  B16  1  0.23768700  0.22990800  0.12661800  1
  B  B17  1  0.03802100  0.68361900  0.37100800  1
  B  B18  1  0.25981700  0.26808900  0.87199900  1
  O  O19  1  0.99003000  0.21173900  0.14468100  1
  O  O20  1  0.86130600  0.88408900  0.17354700  1
  O  O21  1  0.86909400  0.59744800  0.07755800  1
  O  O22  1  0.90973900  0.55682300  0.37426700  1
  O  O23  1  0.95541700  0.83990300  0.42365700  1
  O  O24  1  0.75695400  0.17088700  0.33377600  1
  O  O25  1  0.74769800  0.33873400  0.66018600  1
  O  O26  1  0.47086400  0.70807900  0.11076900  1
  O  O27  1  0.35755400  0.37982200  0.15888000  1
  O  O28  1  0.53828700  0.65334900  0.57571300  1
  O  O29  1  0.65386400  0.93455200  0.64675100  1
  O  O30  1  0.36853600  0.09509400  0.07865300  1
  O  O31  1  0.66352400  0.91571300  0.91964500  1
  O  O32  1  0.36247800  0.06195300  0.36297400  1
  O  O33  1  0.42977700  0.34237800  0.41714000  1
  O  O34  1  0.59175000  0.62449000  0.82406300  1
  O  O35  1  0.51525300  0.25872700  0.87035200  1
  O  O36  1  0.25513400  0.66958400  0.31866200  1
  O  O37  1  0.24793900  0.84341600  0.66717300  1
  O  O38  1  0.03511100  0.14625000  0.56767800  1
  O  O39  1  0.15470400  0.42938400  0.64104400  1
  O  O40  1  0.15533000  0.41582300  0.91420700  1
  O  O41  1  0.08912400  0.12556800  0.82703900  1
  O  O42  1  0.01830300  0.75795100  0.86815800  1
