# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29696200
_cell_length_b   9.04792755
_cell_length_c   11.33087972
_cell_angle_alpha   113.21010763
_cell_angle_beta   102.59064864
_cell_angle_gamma   90.31478261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   484.56070596
_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  0.82544400  0.18256700  0.33995500  1
  Li  Li1  1  0.39955200  0.03640600  0.09168400  1
  Li  Li2  1  0.06579600  0.40512000  0.83678100  1
  Fe  Fe3  1  0.59361100  0.60668100  0.87079900  1
  Fe  Fe4  1  0.91023000  0.89124200  0.11966700  1
  Fe  Fe5  1  0.15499800  0.47515300  0.61303700  1
  Fe  Fe6  1  0.34411600  0.01309000  0.37494000  1
  Fe  Fe7  1  0.65017900  0.98156100  0.62896100  1
  Fe  Fe8  1  0.85261000  0.53446300  0.36746000  1
  Fe  Fe9  1  0.09529800  0.08435500  0.86945100  1
  Fe  Fe10  1  0.39821800  0.39990200  0.12502400  1
  B  B11  1  0.35094500  0.34261000  0.36577900  1
  B  B12  1  0.11451300  0.76023200  0.87522700  1
  B  B13  1  0.85793000  0.86753700  0.37654100  1
  B  B14  1  0.59246800  0.27549000  0.87136900  1
  B  B15  1  0.14563600  0.14133300  0.62394600  1
  B  B16  1  0.40099700  0.72844100  0.12282600  1
  B  B17  1  0.65358900  0.64326100  0.62385700  1
  B  B18  1  0.89213300  0.23151500  0.12378800  1
  O  O19  1  0.88160100  0.76448500  0.91210200  1
  O  O20  1  0.52847900  0.54317300  0.66711900  1
  O  O21  1  0.77942500  0.10449800  0.13896200  1
  O  O22  1  0.46955500  0.20565800  0.36178200  1
  O  O23  1  0.12282300  0.37305800  0.41300800  1
  O  O24  1  0.20581400  0.60620800  0.82335000  1
  O  O25  1  0.71473700  0.40743500  0.86676200  1
  O  O26  1  0.96107300  0.98257400  0.33776400  1
  O  O27  1  0.30961100  0.88232500  0.17619600  1
  O  O28  1  0.36154700  0.09465900  0.57138800  1
  O  O29  1  0.06179400  0.28948900  0.64072200  1
  O  O30  1  0.60408100  0.72119400  0.06276400  1
  O  O31  1  0.36201500  0.28907100  0.91664800  1
  O  O32  1  0.63709100  0.90826600  0.42799200  1
  O  O33  1  0.69728700  0.12840300  0.82638900  1
  O  O34  1  0.02497700  0.03928900  0.66365800  1
  O  O35  1  0.28523800  0.59632200  0.12512900  1
  O  O36  1  0.77360500  0.37375000  0.15057800  1
  O  O37  1  0.87093700  0.59196400  0.57538100  1
  O  O38  1  0.55836500  0.78333400  0.62903200  1
  O  O39  1  0.96727500  0.73293200  0.36327400  1
  O  O40  1  0.25353900  0.89974700  0.89870200  1
  O  O41  1  0.45417600  0.44639700  0.32183900  1
  O  O42  1  0.13139800  0.21848500  0.08696800  1
