# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25828000
_cell_length_b   5.27390833
_cell_length_c   20.16484421
_cell_angle_alpha   90.51824891
_cell_angle_beta   89.89561654
_cell_angle_gamma   119.50900365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   486.64196656
_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  0.35966400  0.33235400  0.66788500  1
  Li  Li1  1  0.33220900  0.35699800  0.92047100  1
  Li  Li2  1  0.33374900  0.35912700  0.41809000  1
  Fe  Fe3  1  0.32320100  0.98343900  0.81054200  1
  Fe  Fe4  1  0.32222900  0.98206700  0.31022300  1
  Fe  Fe5  1  0.99101800  0.68480600  0.93747100  1
  Fe  Fe6  1  0.99348500  0.68476300  0.43668400  1
  Fe  Fe7  1  0.98445800  0.32473500  0.56021000  1
  Fe  Fe8  1  0.99945500  0.32786600  0.05953700  1
  Fe  Fe9  1  0.68544000  0.99230900  0.68655000  1
  Fe  Fe10  1  0.67289400  0.00071100  0.18396200  1
  B  B11  1  0.66030700  0.00409400  0.93594000  1
  B  B12  1  0.66461600  0.00476400  0.43558500  1
  B  B13  1  0.98955800  0.32704200  0.81326400  1
  B  B14  1  0.99047500  0.32830400  0.31175900  1
  B  B15  1  0.00466500  0.66301900  0.68575700  1
  B  B16  1  0.99972000  0.65924300  0.18544200  1
  B  B17  1  0.32743400  0.98958200  0.56267300  1
  B  B18  1  0.33524000  0.99745900  0.06170200  1
  O  O19  1  0.72525500  0.11106800  0.78826800  1
  O  O20  1  0.72738100  0.11744700  0.28383000  1
  O  O21  1  0.91262400  0.25791500  0.95881700  1
  O  O22  1  0.42162900  0.03257700  0.91359400  1
  O  O23  1  0.91805500  0.25636800  0.45862500  1
  O  O24  1  0.42742400  0.03598800  0.41281600  1
  O  O25  1  0.02070100  0.59537600  0.83163400  1
  O  O26  1  0.28047900  0.22146500  0.57016100  1
  O  O27  1  0.01854800  0.59291400  0.33237700  1
  O  O28  1  0.30073400  0.23564700  0.05928700  1
  O  O29  1  0.22091400  0.27923300  0.82163200  1
  O  O30  1  0.21488600  0.27344400  0.32227300  1
  O  O31  1  0.74069800  0.64900000  0.68417200  1
  O  O32  1  0.76716900  0.70236200  0.18350500  1
  O  O33  1  0.64895900  0.74246500  0.93508600  1
  O  O34  1  0.03616800  0.42510700  0.66357700  1
  O  O35  1  0.64992400  0.74146000  0.43404500  1
  O  O36  1  0.98958000  0.40211500  0.16309000  1
  O  O37  1  0.59601700  0.02141500  0.58136500  1
  O  O38  1  0.59848000  0.01910200  0.08451300  1
  O  O39  1  0.11128600  0.72504600  0.53809800  1
  O  O40  1  0.11637600  0.72749100  0.03983500  1
  O  O41  1  0.25636700  0.91793000  0.70840800  1
  O  O42  1  0.26842300  0.87858500  0.21135000  1
