# generated using pymatgen
data_Li3Fe8(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24889700
_cell_length_b   9.15630534
_cell_length_c   10.10403630
_cell_angle_alpha   89.31725443
_cell_angle_beta   89.94924827
_cell_angle_gamma   89.41250228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe8(BO3)8
_chemical_formula_sum   'Li3 Fe8 B8 O24'
_cell_volume   485.54492923
_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  0.15256000  0.17259300  0.65424700  1
  Li  Li1  1  0.32967800  0.33171900  0.39294200  1
  Li  Li2  1  0.68168500  0.67398800  0.15624400  1
  Fe  Fe3  1  0.16531100  0.83204300  0.62680800  1
  Fe  Fe4  1  0.17165700  0.49867300  0.12956600  1
  Fe  Fe5  1  0.32985000  0.99184300  0.88531200  1
  Fe  Fe6  1  0.33580000  0.66360400  0.38139500  1
  Fe  Fe7  1  0.65169000  0.34473800  0.62997600  1
  Fe  Fe8  1  0.68438200  0.00454200  0.12866700  1
  Fe  Fe9  1  0.83104100  0.15915300  0.37494200  1
  Fe  Fe10  1  0.82833800  0.50096200  0.87279100  1
  B  B11  1  0.15354600  0.49903900  0.62583400  1
  B  B12  1  0.16631600  0.82516700  0.12390200  1
  B  B13  1  0.33460400  0.00483400  0.38753400  1
  B  B14  1  0.32925800  0.66658100  0.88028800  1
  B  B15  1  0.67036300  0.00154200  0.63024400  1
  B  B16  1  0.67559500  0.33861500  0.13394400  1
  B  B17  1  0.83254000  0.48827300  0.36626200  1
  B  B18  1  0.82658100  0.16652400  0.87433100  1
  O  O19  1  0.09216000  0.48317100  0.33063400  1
  O  O20  1  0.08090400  0.14075700  0.85070200  1
  O  O21  1  0.22062700  0.79507400  0.82813700  1
  O  O22  1  0.23549300  0.87414100  0.43375000  1
  O  O23  1  0.19207900  0.13232800  0.39052500  1
  O  O24  1  0.16916500  0.55676200  0.92908400  1
  O  O25  1  0.27766800  0.36754800  0.60323000  1
  O  O26  1  0.31297600  0.93995100  0.07590200  1
  O  O27  1  0.26304800  0.62963100  0.58668900  1
  O  O28  1  0.30037500  0.69701200  0.16478900  1
  O  O29  1  0.41814700  0.35023900  0.14386600  1
  O  O30  1  0.41057200  0.00223600  0.67069100  1
  O  O31  1  0.58309800  0.00965300  0.33986000  1
  O  O32  1  0.58402200  0.64920400  0.88890900  1
  O  O33  1  0.71613200  0.30160500  0.84428300  1
  O  O34  1  0.72188800  0.35995100  0.41781400  1
  O  O35  1  0.69270200  0.61012600  0.34794200  1
  O  O36  1  0.67183500  0.05650500  0.92282000  1
  O  O37  1  0.81522700  0.45891500  0.08436500  1
  O  O38  1  0.81687200  0.87992300  0.63743000  1
  O  O39  1  0.77432900  0.13339000  0.58248300  1
  O  O40  1  0.80692700  0.21519200  0.17861900  1
  O  O41  1  0.91014500  0.83107900  0.13273400  1
  O  O42  1  0.91167100  0.50128400  0.68091400  1
