# generated using pymatgen
data_LiFe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23723600
_cell_length_b   9.13518450
_cell_length_c   10.18181139
_cell_angle_alpha   89.95579384
_cell_angle_beta   89.85700535
_cell_angle_gamma   88.94707444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(BO3)8
_chemical_formula_sum   'Li1 Fe8 B8 O24'
_cell_volume   487.04569676
_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  0.81710200  0.82612600  0.15889700  1
  Fe  Fe1  1  0.83816800  0.16302700  0.62690000  1
  Fe  Fe2  1  0.82822400  0.48988600  0.12684800  1
  Fe  Fe3  1  0.67305700  0.00245100  0.87442200  1
  Fe  Fe4  1  0.66790000  0.33448500  0.37853100  1
  Fe  Fe5  1  0.32697300  0.66283000  0.62595800  1
  Fe  Fe6  1  0.32667300  0.00720500  0.12952600  1
  Fe  Fe7  1  0.18042600  0.84238000  0.38425500  1
  Fe  Fe8  1  0.16944600  0.50513000  0.87714500  1
  B  B9  1  0.83769300  0.49931400  0.62832700  1
  B  B10  1  0.82725300  0.16693800  0.12668200  1
  B  B11  1  0.66238300  0.00710900  0.36721200  1
  B  B12  1  0.67105000  0.33202300  0.87798700  1
  B  B13  1  0.34492100  0.99778800  0.63228700  1
  B  B14  1  0.32727000  0.67225900  0.12288300  1
  B  B15  1  0.15963900  0.49929600  0.37758700  1
  B  B16  1  0.17549400  0.83318300  0.88168700  1
  O  O17  1  0.91359800  0.48962100  0.32132600  1
  O  O18  1  0.91802800  0.85186200  0.88909300  1
  O  O19  1  0.78486400  0.20310600  0.82972900  1
  O  O20  1  0.74571300  0.13289700  0.43396500  1
  O  O21  1  0.81455100  0.89176400  0.34104700  1
  O  O22  1  0.83300600  0.43559200  0.93423700  1
  O  O23  1  0.67389800  0.61420100  0.63182600  1
  O  O24  1  0.68268800  0.04925100  0.07970200  1
  O  O25  1  0.76852200  0.36593700  0.57069300  1
  O  O26  1  0.69753400  0.29252900  0.17367800  1
  O  O27  1  0.58787200  0.65322000  0.13013300  1
  O  O28  1  0.59691300  0.00516700  0.67845200  1
  O  O29  1  0.41016500  0.01210300  0.31925500  1
  O  O30  1  0.41758200  0.35668000  0.87250000  1
  O  O31  1  0.28663100  0.70495800  0.83063200  1
  O  O32  1  0.22484100  0.62988900  0.43752400  1
  O  O33  1  0.32326100  0.38341600  0.37201900  1
  O  O34  1  0.33567700  0.94162700  0.93014000  1
  O  O35  1  0.17071800  0.56208700  0.07454800  1
  O  O36  1  0.18517700  0.11608300  0.63677200  1
  O  O37  1  0.26353300  0.86558500  0.58375600  1
  O  O38  1  0.20499100  0.80235800  0.16138600  1
  O  O39  1  0.08300000  0.15836700  0.12512500  1
  O  O40  1  0.08302600  0.50604200  0.68217200  1
