# generated using pymatgen
data_LiFeB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83602400
_cell_length_b   5.48391800
_cell_length_c   12.02367401
_cell_angle_alpha   79.41100991
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeB2O5
_chemical_formula_sum   'Li8 Fe8 B16 O40'
_cell_volume   702.32587147
_cell_formula_units_Z   8
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  0.62512100  0.36753200  0.06135900  1
  Li  Li1  1  0.87487900  0.86753200  0.06135900  1
  Li  Li2  1  0.11221300  0.11874300  0.43914600  1
  Li  Li3  1  0.38778700  0.61874300  0.43914600  1
  Li  Li4  1  0.61221300  0.38125700  0.56085400  1
  Li  Li5  1  0.88778700  0.88125700  0.56085400  1
  Li  Li6  1  0.12512100  0.13246800  0.93864100  1
  Li  Li7  1  0.37487900  0.63246800  0.93864100  1
  Fe  Fe8  1  0.37677400  0.27065100  0.23819900  1
  Fe  Fe9  1  0.87468800  0.24940500  0.25880100  1
  Fe  Fe10  1  0.12322600  0.77065100  0.23819900  1
  Fe  Fe11  1  0.62531200  0.74940500  0.25880100  1
  Fe  Fe12  1  0.37468800  0.25059500  0.74119900  1
  Fe  Fe13  1  0.87677400  0.22934900  0.76180100  1
  Fe  Fe14  1  0.12531200  0.75059500  0.74119900  1
  Fe  Fe15  1  0.62322600  0.72934900  0.76180100  1
  B  B16  1  0.36993700  0.14368100  0.00333100  1
  B  B17  1  0.13006300  0.64368100  0.00333100  1
  B  B18  1  0.11917300  0.30895700  0.16547100  1
  B  B19  1  0.38082700  0.80895700  0.16547100  1
  B  B20  1  0.62767200  0.20469000  0.33624300  1
  B  B21  1  0.87232800  0.70469000  0.33624300  1
  B  B22  1  0.38806100  0.15722200  0.50791900  1
  B  B23  1  0.88806100  0.34277800  0.49208100  1
  B  B24  1  0.11193900  0.65722200  0.50791900  1
  B  B25  1  0.61193900  0.84277800  0.49208100  1
  B  B26  1  0.12767200  0.29531000  0.66375700  1
  B  B27  1  0.37232800  0.79531000  0.66375700  1
  B  B28  1  0.61917300  0.19104300  0.83452900  1
  B  B29  1  0.88082700  0.69104300  0.83452900  1
  B  B30  1  0.86993700  0.35631900  0.99666900  1
  B  B31  1  0.63006300  0.85631900  0.99666900  1
  O  O32  1  0.39620400  0.31890600  0.06718200  1
  O  O33  1  0.11114500  0.38596300  0.04866100  1
  O  O34  1  0.82119100  0.29869900  0.10255600  1
  O  O35  1  0.10379600  0.81890600  0.06718200  1
  O  O36  1  0.38885500  0.88596300  0.04866100  1
  O  O37  1  0.67880900  0.79869900  0.10255600  1
  O  O38  1  0.04498800  0.12009500  0.21965800  1
  O  O39  1  0.55437800  0.11512800  0.25778800  1
  O  O40  1  0.19891000  0.43094500  0.22653000  1
  O  O41  1  0.45501200  0.62009500  0.21965800  1
  O  O42  1  0.70500300  0.40286400  0.29879700  1
  O  O43  1  0.94562200  0.61512800  0.25778800  1
  O  O44  1  0.30109000  0.93094500  0.22653000  1
  O  O45  1  0.79499700  0.90286400  0.29879700  1
  O  O46  1  0.35619400  0.25541900  0.39958900  1
  O  O47  1  0.62773300  0.10231400  0.45229700  1
  O  O48  1  0.92794000  0.19006000  0.42120100  1
  O  O49  1  0.14380600  0.75541900  0.39958900  1
  O  O50  1  0.87226700  0.60231400  0.45229700  1
  O  O51  1  0.57206000  0.69006000  0.42120100  1
  O  O52  1  0.42794000  0.30994000  0.57879900  1
  O  O53  1  0.12773300  0.39768600  0.54770300  1
  O  O54  1  0.85619400  0.24458100  0.60041100  1
  O  O55  1  0.07206000  0.80994000  0.57879900  1
  O  O56  1  0.37226700  0.89768600  0.54770300  1
  O  O57  1  0.64380600  0.74458100  0.60041100  1
  O  O58  1  0.20500300  0.09713600  0.70120300  1
  O  O59  1  0.69891000  0.06905500  0.77347000  1
  O  O60  1  0.05437800  0.38487200  0.74221200  1
  O  O61  1  0.29499700  0.59713600  0.70120300  1
  O  O62  1  0.54498800  0.37990500  0.78034200  1
  O  O63  1  0.80109000  0.56905500  0.77347000  1
  O  O64  1  0.44562200  0.88487200  0.74221200  1
  O  O65  1  0.95501200  0.87990500  0.78034200  1
  O  O66  1  0.32119100  0.20130100  0.89744400  1
  O  O67  1  0.61114500  0.11403700  0.95133900  1
  O  O68  1  0.89620400  0.18109400  0.93281800  1
  O  O69  1  0.17880900  0.70130100  0.89744400  1
  O  O70  1  0.88885500  0.61403700  0.95133900  1
  O  O71  1  0.60379600  0.68109400  0.93281800  1
