# generated using pymatgen
data_Li2FeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59325600
_cell_length_b   6.28781700
_cell_length_c   10.00484071
_cell_angle_alpha   89.86760759
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeBO4
_chemical_formula_sum   'Li8 Fe4 B4 O16'
_cell_volume   351.86300697
_cell_formula_units_Z   4
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  0.60406000  0.91075700  0.80149300  1
  Li  Li1  1  0.89594000  0.91075700  0.30149300  1
  Li  Li2  1  0.85202000  0.73689900  0.58580700  1
  Li  Li3  1  0.64798000  0.73689900  0.08580700  1
  Li  Li4  1  0.35202000  0.26310100  0.91419300  1
  Li  Li5  1  0.14798000  0.26310100  0.41419300  1
  Li  Li6  1  0.10406000  0.08924300  0.69850700  1
  Li  Li7  1  0.39594000  0.08924300  0.19850700  1
  Fe  Fe8  1  0.14855700  0.74058600  0.90983600  1
  Fe  Fe9  1  0.35144300  0.74058600  0.40983600  1
  Fe  Fe10  1  0.64855700  0.25941400  0.59016400  1
  Fe  Fe11  1  0.85144300  0.25941400  0.09016400  1
  B  B12  1  0.75083900  0.49741200  0.84103500  1
  B  B13  1  0.25083900  0.50258800  0.65896500  1
  B  B14  1  0.74916100  0.49741200  0.34103500  1
  B  B15  1  0.24916100  0.50258800  0.15896500  1
  O  O16  1  0.27729500  0.98560700  0.84810500  1
  O  O17  1  0.22270500  0.98560700  0.34810500  1
  O  O18  1  0.79966600  0.69252600  0.90545900  1
  O  O19  1  0.70033400  0.69252600  0.40545900  1
  O  O20  1  0.20930500  0.68366100  0.58328100  1
  O  O21  1  0.74006500  0.49689200  0.70293000  1
  O  O22  1  0.29069500  0.68366100  0.08328100  1
  O  O23  1  0.75993500  0.49689200  0.20293000  1
  O  O24  1  0.24006500  0.50310800  0.79707000  1
  O  O25  1  0.70930500  0.31633900  0.91671900  1
  O  O26  1  0.25993500  0.50310800  0.29707000  1
  O  O27  1  0.79069500  0.31633900  0.41671900  1
  O  O28  1  0.29966600  0.30747400  0.59454100  1
  O  O29  1  0.20033400  0.30747400  0.09454100  1
  O  O30  1  0.77729500  0.01439300  0.65189500  1
  O  O31  1  0.72270500  0.01439300  0.15189500  1
