# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31624500
_cell_length_b   9.02785134
_cell_length_c   10.04298880
_cell_angle_alpha   90.50107491
_cell_angle_beta   91.31270482
_cell_angle_gamma   90.53075117
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   481.83939233
_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  0.65095900  0.99950700  0.08737100  1
  Li  Li1  1  0.15568800  0.50270600  0.09442300  1
  Li  Li2  1  0.34230700  0.99142600  0.35619300  1
  Fe  Fe3  1  0.15180900  0.15905700  0.11751400  1
  Fe  Fe4  1  0.83825900  0.17049100  0.37429700  1
  Fe  Fe5  1  0.34018300  0.33484600  0.86887600  1
  Fe  Fe6  1  0.66343400  0.33600700  0.62605500  1
  Fe  Fe7  1  0.33492600  0.66053800  0.37242400  1
  Fe  Fe8  1  0.16153800  0.84102000  0.62415400  1
  Fe  Fe9  1  0.66535300  0.65677400  0.12214800  1
  Fe  Fe10  1  0.83823200  0.83290600  0.86299700  1
  B  B11  1  0.17459300  0.17378200  0.61870200  1
  B  B12  1  0.33333300  0.32593000  0.37185600  1
  B  B13  1  0.83152200  0.16733000  0.87259400  1
  B  B14  1  0.66551100  0.33054600  0.12110200  1
  B  B15  1  0.33298700  0.67029700  0.87735100  1
  B  B16  1  0.65714800  0.66877200  0.62084300  1
  B  B17  1  0.16447600  0.83066200  0.12756200  1
  B  B18  1  0.83090700  0.83382000  0.36764800  1
  O  O19  1  0.28630800  0.04226600  0.60702100  1
  O  O20  1  0.08145200  0.19005900  0.91071400  1
  O  O21  1  0.72276000  0.03140500  0.89038400  1
  O  O22  1  0.19733200  0.19685900  0.33565600  1
  O  O23  1  0.30259100  0.30141600  0.66902000  1
  O  O24  1  0.76986200  0.19639800  0.16875300  1
  O  O25  1  0.92396400  0.19540400  0.57396900  1
  O  O26  1  0.41326300  0.32703600  0.07596500  1
  O  O27  1  0.23327400  0.46145400  0.35331000  1
  O  O28  1  0.57632800  0.30733200  0.42373600  1
  O  O29  1  0.69246600  0.28817000  0.82748300  1
  O  O30  1  0.23025900  0.53130500  0.89119100  1
  O  O31  1  0.80764600  0.45576500  0.11816800  1
  O  O32  1  0.27524300  0.69542700  0.16439800  1
  O  O33  1  0.41725200  0.68554200  0.56379700  1
  O  O34  1  0.76469000  0.53267600  0.63163800  1
  O  O35  1  0.58289200  0.69429400  0.91605000  1
  O  O36  1  0.08743700  0.82236700  0.39952800  1
  O  O37  1  0.18921200  0.78868200  0.83506800  1
  O  O38  1  0.68825600  0.70930900  0.33304700  1
  O  O39  1  0.78493600  0.79537200  0.66818700  1
  O  O40  1  0.30288400  0.95997300  0.14289300  1
  O  O41  1  0.91596600  0.83207600  0.07955400  1
  O  O42  1  0.71870800  0.97109300  0.36534900  1
