# generated using pymatgen
data_Li5Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22024900
_cell_length_b   9.05336779
_cell_length_c   11.40099456
_cell_angle_alpha   112.84830326
_cell_angle_beta   102.30001401
_cell_angle_gamma   89.61935300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe8(BO3)8
_chemical_formula_sum   'Li5 Fe8 B8 O24'
_cell_volume   483.40991250
_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  0.03228800  0.02259200  0.38784000  1
  Li  Li1  1  0.28607100  0.27376100  0.89335300  1
  Li  Li2  1  0.48094700  0.50624100  0.66051100  1
  Li  Li3  1  0.25392600  0.23890800  0.15598300  1
  Li  Li4  1  0.52639700  0.53594900  0.40517600  1
  Fe  Fe5  1  0.02604100  0.35368800  0.38219900  1
  Fe  Fe6  1  0.26118000  0.92997800  0.88235000  1
  Fe  Fe7  1  0.49486300  0.14840300  0.62954200  1
  Fe  Fe8  1  0.23535400  0.57466000  0.12986100  1
  Fe  Fe9  1  0.77013000  0.45334100  0.88435800  1
  Fe  Fe10  1  0.53932300  0.85035400  0.37563900  1
  Fe  Fe11  1  0.96195500  0.66271200  0.63081000  1
  Fe  Fe12  1  0.72913500  0.05446300  0.12729200  1
  B  B13  1  0.02411900  0.68619600  0.37439800  1
  B  B14  1  0.26634700  0.60505000  0.87660800  1
  B  B15  1  0.46022200  0.81225500  0.62776700  1
  B  B16  1  0.22846200  0.89562600  0.13398300  1
  B  B17  1  0.52933800  0.18860900  0.38192300  1
  B  B18  1  0.76490900  0.10735000  0.87846000  1
  B  B19  1  0.99359400  0.32019500  0.62810100  1
  B  B20  1  0.73753200  0.39215000  0.12754300  1
  O  O21  1  0.03341800  0.10436800  0.88667200  1
  O  O22  1  0.10541400  0.71929900  0.85269600  1
  O  O23  1  0.17244600  0.50161600  0.92796000  1
  O  O24  1  0.14054700  0.19610600  0.63770300  1
  O  O25  1  0.09470800  0.43574700  0.59443600  1
  O  O26  1  0.25278500  0.84281000  0.69029500  1
  O  O27  1  0.26102300  0.64957100  0.32836500  1
  O  O28  1  0.50446800  0.58796600  0.84592800  1
  O  O29  1  0.62047200  0.21199500  0.82979300  1
  O  O30  1  0.41543400  0.08787400  0.42921800  1
  O  O31  1  0.39206300  0.31033600  0.35895700  1
  O  O32  1  0.63157000  0.01469500  0.92205900  1
  O  O33  1  0.33229900  0.99837100  0.08389200  1
  O  O34  1  0.57141200  0.66658500  0.60038200  1
  O  O35  1  0.54857300  0.92312500  0.58539000  1
  O  O36  1  0.39303100  0.78335700  0.16241300  1
  O  O37  1  0.46517300  0.39578200  0.11895300  1
  O  O38  1  0.74194200  0.33214100  0.65590700  1
  O  O39  1  0.77294900  0.16026800  0.35500500  1
  O  O40  1  0.91115300  0.57886900  0.41374000  1
  O  O41  1  0.91620200  0.82518400  0.38386700  1
  O  O42  1  0.86470500  0.49347800  0.08815200  1
  O  O43  1  0.87999100  0.28415200  0.16820100  1
  O  O44  1  0.99099400  0.90997800  0.16188800  1
