# generated using pymatgen
data_LiFe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33296700
_cell_length_b   9.01100343
_cell_length_c   10.13165869
_cell_angle_alpha   89.36548559
_cell_angle_beta   89.97949452
_cell_angle_gamma   89.62361039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(BO3)8
_chemical_formula_sum   'Li1 Fe8 B8 O24'
_cell_volume   486.84036788
_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  0.64534900  0.99611500  0.84420600  1
  Fe  Fe1  1  0.84287900  0.83414000  0.12063300  1
  Fe  Fe2  1  0.16041600  0.83415100  0.37030700  1
  Fe  Fe3  1  0.66104600  0.65868000  0.87277900  1
  Fe  Fe4  1  0.34051000  0.66638400  0.62336800  1
  Fe  Fe5  1  0.65921600  0.33348200  0.37239100  1
  Fe  Fe6  1  0.85357100  0.17060400  0.62343500  1
  Fe  Fe7  1  0.33789100  0.33331700  0.12382400  1
  Fe  Fe8  1  0.15446500  0.17071900  0.87731800  1
  B  B9  1  0.83753100  0.82863300  0.62887200  1
  B  B10  1  0.66824000  0.67177500  0.37153800  1
  B  B11  1  0.17398400  0.82836500  0.87055600  1
  B  B12  1  0.33803800  0.67111300  0.12185400  1
  B  B13  1  0.66282900  0.32839700  0.87385500  1
  B  B14  1  0.33884300  0.32982400  0.62043400  1
  B  B15  1  0.83191300  0.16904400  0.12366300  1
  B  B16  1  0.16785700  0.16996000  0.37307800  1
  O  O17  1  0.75714700  0.96908900  0.65209100  1
  O  O18  1  0.92044800  0.81355700  0.91559700  1
  O  O19  1  0.29329300  0.95865300  0.87247600  1
  O  O20  1  0.80421300  0.79266000  0.31962600  1
  O  O21  1  0.69588400  0.70813500  0.67406400  1
  O  O22  1  0.20049300  0.79336400  0.16906400  1
  O  O23  1  0.06472400  0.80016100  0.56548200  1
  O  O24  1  0.57588400  0.69887400  0.06633300  1
  O  O25  1  0.75620800  0.53232000  0.36587300  1
  O  O26  1  0.43484000  0.70396300  0.42887000  1
  O  O27  1  0.29717300  0.69964800  0.82403500  1
  O  O28  1  0.77221400  0.46384000  0.86524900  1
  O  O29  1  0.24541200  0.53366100  0.12965100  1
  O  O30  1  0.69214500  0.28580600  0.17746900  1
  O  O31  1  0.57785700  0.30229700  0.56718300  1
  O  O32  1  0.24759000  0.46970800  0.62377400  1
  O  O33  1  0.43523700  0.30861500  0.93496100  1
  O  O34  1  0.92824100  0.19438300  0.42648700  1
  O  O35  1  0.77623100  0.20069000  0.82053100  1
  O  O36  1  0.30101900  0.29301400  0.32714600  1
  O  O37  1  0.20174200  0.21058100  0.66806300  1
  O  O38  1  0.73272200  0.03081200  0.11054900  1
  O  O39  1  0.07063900  0.19749200  0.07900200  1
  O  O40  1  0.26244300  0.03082200  0.36747100  1
