# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29551600
_cell_length_b   9.05317900
_cell_length_c   10.17373883
_cell_angle_alpha   90.06718053
_cell_angle_beta   90.98711702
_cell_angle_gamma   89.99904435
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   487.66908114
_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  0.65576200  0.00682900  0.15350000  1
  Li  Li1  1  0.34204800  0.00046200  0.89139700  1
  Li  Li2  1  0.14978400  0.49456700  0.65079200  1
  Fe  Fe3  1  0.84233100  0.16557300  0.87808800  1
  Fe  Fe4  1  0.15934500  0.15987900  0.62935800  1
  Fe  Fe5  1  0.66775400  0.34222700  0.13094000  1
  Fe  Fe6  1  0.34185100  0.33450100  0.38005500  1
  Fe  Fe7  1  0.66060300  0.66641300  0.62645600  1
  Fe  Fe8  1  0.84387700  0.82983400  0.37928000  1
  Fe  Fe9  1  0.34494100  0.66599500  0.87635000  1
  Fe  Fe10  1  0.15328500  0.83307200  0.12761100  1
  B  B11  1  0.84001100  0.16977700  0.37414200  1
  B  B12  1  0.67482100  0.32961400  0.62636400  1
  B  B13  1  0.17679700  0.16957100  0.12956000  1
  B  B14  1  0.34709100  0.33053900  0.87394400  1
  B  B15  1  0.65678100  0.66968100  0.12707400  1
  B  B16  1  0.33338100  0.66809400  0.38003000  1
  B  B17  1  0.82853900  0.83407900  0.88044200  1
  B  B18  1  0.16068900  0.83133800  0.63299800  1
  O  O19  1  0.74812000  0.03215700  0.34905000  1
  O  O20  1  0.91883600  0.18349300  0.09941800  1
  O  O21  1  0.29960800  0.03917000  0.10619500  1
  O  O22  1  0.80389400  0.20210800  0.66626200  1
  O  O23  1  0.69930600  0.29435000  0.33754400  1
  O  O24  1  0.22140800  0.20141900  0.83045300  1
  O  O25  1  0.08053900  0.19074100  0.43151500  1
  O  O26  1  0.57415300  0.31356400  0.94158600  1
  O  O27  1  0.79030900  0.46208700  0.62663700  1
  O  O28  1  0.41581400  0.31528300  0.58572600  1
  O  O29  1  0.30681600  0.29257000  0.18070700  1
  O  O30  1  0.77528800  0.53710900  0.13905600  1
  O  O31  1  0.24582000  0.46511400  0.84450500  1
  O  O32  1  0.69839900  0.70981700  0.83606000  1
  O  O33  1  0.57884700  0.69444300  0.42166100  1
  O  O34  1  0.23439900  0.52924600  0.39137100  1
  O  O35  1  0.41857400  0.68186700  0.06804800  1
  O  O36  1  0.92785900  0.82071800  0.57046900  1
  O  O37  1  0.77292900  0.79946500  0.17424900  1
  O  O38  1  0.27803500  0.70063800  0.67644400  1
  O  O39  1  0.18947400  0.78496600  0.33170900  1
  O  O40  1  0.70478500  0.96473200  0.89907400  1
  O  O41  1  0.08866100  0.82337500  0.91025700  1
  O  O42  1  0.27384400  0.96515100  0.65502400  1
