# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31237200
_cell_length_b   9.03637258
_cell_length_c   10.13637148
_cell_angle_alpha   89.44712684
_cell_angle_beta   88.89420177
_cell_angle_gamma   89.53189565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   486.46339984
_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  0.35045800  0.99342300  0.09320100  1
  Li  Li1  1  0.15160700  0.48634300  0.84517800  1
  Li  Li2  1  0.65632500  0.00932800  0.35383800  1
  Fe  Fe3  1  0.85113100  0.83208900  0.11878600  1
  Fe  Fe4  1  0.16012600  0.82882200  0.37273800  1
  Fe  Fe5  1  0.65877400  0.66994600  0.87635200  1
  Fe  Fe6  1  0.34949000  0.66801100  0.62211800  1
  Fe  Fe7  1  0.66474500  0.33847500  0.36047600  1
  Fe  Fe8  1  0.83835700  0.17142000  0.62744800  1
  Fe  Fe9  1  0.32837200  0.34451800  0.12145400  1
  Fe  Fe10  1  0.16416300  0.15117900  0.86998300  1
  B  B11  1  0.83379900  0.83549200  0.62040100  1
  B  B12  1  0.67303600  0.67087400  0.37636700  1
  B  B13  1  0.17277600  0.82200300  0.87541700  1
  B  B14  1  0.33374200  0.67284300  0.12102000  1
  B  B15  1  0.65570200  0.33873200  0.86529300  1
  B  B16  1  0.34081900  0.32902500  0.61851900  1
  B  B17  1  0.83577700  0.16370600  0.12982100  1
  B  B18  1  0.16950900  0.16578500  0.37095500  1
  O  O19  1  0.73628900  0.97286100  0.61065900  1
  O  O20  1  0.92287000  0.80845000  0.91034200  1
  O  O21  1  0.30059100  0.94795400  0.89533500  1
  O  O22  1  0.80050400  0.80049100  0.33978000  1
  O  O23  1  0.69478900  0.71673900  0.67143300  1
  O  O24  1  0.22460200  0.80354900  0.17805300  1
  O  O25  1  0.07903300  0.80474600  0.57284600  1
  O  O26  1  0.57301300  0.69128500  0.06576600  1
  O  O27  1  0.77255100  0.53558300  0.36604000  1
  O  O28  1  0.42675000  0.69209900  0.42827000  1
  O  O29  1  0.29377500  0.69255300  0.82455500  1
  O  O30  1  0.78133200  0.47220000  0.86644900  1
  O  O31  1  0.20264700  0.54810600  0.11602200  1
  O  O32  1  0.71143800  0.29460200  0.16828400  1
  O  O33  1  0.58191400  0.30774500  0.56354400  1
  O  O34  1  0.25615500  0.46922900  0.64638600  1
  O  O35  1  0.40537200  0.32895800  0.90444000  1
  O  O36  1  0.91262700  0.17710700  0.40780900  1
  O  O37  1  0.78934500  0.21449300  0.81973700  1
  O  O38  1  0.30583300  0.28950600  0.33823300  1
  O  O39  1  0.19458600  0.20784900  0.65059700  1
  O  O40  1  0.70439700  0.03348700  0.14282700  1
  O  O41  1  0.08517400  0.16572600  0.08574100  1
  O  O42  1  0.28110900  0.02704700  0.36607900  1
