# generated using pymatgen
data_Li5Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21850900
_cell_length_b   9.11761383
_cell_length_c   11.33062937
_cell_angle_alpha   112.35037791
_cell_angle_beta   102.55130254
_cell_angle_gamma   90.02449533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe8(BO3)8
_chemical_formula_sum   'Li5 Fe8 B8 O24'
_cell_volume   484.63408163
_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  0.02869600  0.03373800  0.39716600  1
  Li  Li1  1  0.30039100  0.27765800  0.91590500  1
  Li  Li2  1  0.48710800  0.50775600  0.66061900  1
  Li  Li3  1  0.97881000  0.00332700  0.66085200  1
  Li  Li4  1  0.76280100  0.74925900  0.15878300  1
  Fe  Fe5  1  0.02100000  0.35984600  0.37541700  1
  Fe  Fe6  1  0.26668200  0.92277600  0.88117200  1
  Fe  Fe7  1  0.48501900  0.15686400  0.62943100  1
  Fe  Fe8  1  0.23972100  0.56536800  0.13614700  1
  Fe  Fe9  1  0.77270600  0.44689400  0.87862100  1
  Fe  Fe10  1  0.52910200  0.84498500  0.38870300  1
  Fe  Fe11  1  0.96380700  0.65127300  0.62884600  1
  Fe  Fe12  1  0.74811000  0.06945800  0.12702200  1
  B  B13  1  0.02763900  0.68468100  0.37549100  1
  B  B14  1  0.26715600  0.59967200  0.87598100  1
  B  B15  1  0.47922800  0.82044600  0.63764700  1
  B  B16  1  0.23588200  0.88775500  0.12739100  1
  B  B17  1  0.51460200  0.18598400  0.37695200  1
  B  B18  1  0.76301600  0.10464200  0.87586800  1
  B  B19  1  0.97183800  0.31063600  0.61855300  1
  B  B20  1  0.73313500  0.40705800  0.13245500  1
  O  O21  1  0.02350700  0.08676100  0.86340100  1
  O  O22  1  0.11230300  0.70843300  0.84086300  1
  O  O23  1  0.16768800  0.50032000  0.92887000  1
  O  O24  1  0.08307300  0.17091600  0.61112100  1
  O  O25  1  0.09050700  0.42021500  0.58215500  1
  O  O26  1  0.24107200  0.85296400  0.67979400  1
  O  O27  1  0.25575700  0.65491300  0.32775000  1
  O  O28  1  0.51316400  0.58804500  0.85455000  1
  O  O29  1  0.62280800  0.22011400  0.84474600  1
  O  O30  1  0.42020900  0.06953200  0.41282000  1
  O  O31  1  0.36812800  0.30734100  0.37129300  1
  O  O32  1  0.63805200  0.00843000  0.91985000  1
  O  O33  1  0.35021100  0.97776300  0.07404200  1
  O  O34  1  0.59452300  0.68630400  0.63318200  1
  O  O35  1  0.58888100  0.92922600  0.59799800  1
  O  O36  1  0.39134000  0.77520500  0.16084400  1
  O  O37  1  0.46294100  0.39782700  0.11193500  1
  O  O38  1  0.73864100  0.34413100  0.66162200  1
  O  O39  1  0.76767300  0.17654700  0.34821200  1
  O  O40  1  0.93898700  0.58155800  0.42390800  1
  O  O41  1  0.89786500  0.81521400  0.37138600  1
  O  O42  1  0.85572900  0.52013500  0.09988700  1
  O  O43  1  0.88008600  0.30716800  0.17906300  1
  O  O44  1  0.98744100  0.90420200  0.14764700  1
