# generated using pymatgen
data_LiFe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22315800
_cell_length_b   5.25035310
_cell_length_c   20.19616663
_cell_angle_alpha   89.43293091
_cell_angle_beta   89.48373665
_cell_angle_gamma   61.10228308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(BO3)8
_chemical_formula_sum   'Li1 Fe8 B8 O24'
_cell_volume   484.85557304
_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  0.66918900  0.35615100  0.07869700  1
  Fe  Fe1  1  0.67862300  0.98073700  0.18834500  1
  Fe  Fe2  1  0.67656200  0.99335000  0.68845300  1
  Fe  Fe3  1  0.00788400  0.68505100  0.06120900  1
  Fe  Fe4  1  0.99693700  0.67253400  0.56379700  1
  Fe  Fe5  1  0.00336900  0.32633000  0.43935600  1
  Fe  Fe6  1  0.00217700  0.32663700  0.93902300  1
  Fe  Fe7  1  0.32695600  0.00431600  0.31509900  1
  Fe  Fe8  1  0.32555400  0.00197900  0.81401400  1
  B  B9  1  0.33924300  0.00417400  0.06383600  1
  B  B10  1  0.33949100  0.00279000  0.56357200  1
  B  B11  1  0.01039600  0.33152700  0.18778700  1
  B  B12  1  0.00522400  0.33612500  0.68829400  1
  B  B13  1  0.99925200  0.66145800  0.31431100  1
  B  B14  1  0.99803400  0.65696700  0.81331800  1
  B  B15  1  0.66176500  0.99551800  0.43889800  1
  B  B16  1  0.66269000  0.99533900  0.93781600  1
  O  O17  1  0.27111100  0.12226500  0.21677500  1
  O  O18  1  0.27038000  0.12559500  0.71549700  1
  O  O19  1  0.09111400  0.25512900  0.04031600  1
  O  O20  1  0.57687800  0.03362900  0.08792600  1
  O  O21  1  0.12868200  0.26885200  0.53661800  1
  O  O22  1  0.59635900  0.98901100  0.58817500  1
  O  O23  1  0.98669900  0.59436300  0.16722400  1
  O  O24  1  0.70550700  0.22860000  0.43697700  1
  O  O25  1  0.99251800  0.59321200  0.66359300  1
  O  O26  1  0.69643500  0.23622700  0.94103900  1
  O  O27  1  0.78486100  0.27565900  0.17698200  1
  O  O28  1  0.77179300  0.29207400  0.68568300  1
  O  O29  1  0.23503600  0.70226300  0.31644500  1
  O  O30  1  0.23112200  0.70230700  0.81571300  1
  O  O31  1  0.35375600  0.74022200  0.06466300  1
  O  O32  1  0.00882600  0.40512900  0.33848200  1
  O  O33  1  0.29510600  0.77009500  0.56501500  1
  O  O34  1  0.00855400  0.40002600  0.83706000  1
  O  O35  1  0.40410100  0.00961600  0.41439300  1
  O  O36  1  0.40113700  0.01516900  0.91417000  1
  O  O37  1  0.87241500  0.72993700  0.46571200  1
  O  O38  1  0.87995400  0.72770800  0.96006600  1
  O  O39  1  0.73347700  0.87680900  0.28781000  1
  O  O40  1  0.73236200  0.86989400  0.78626200  1
