# generated using pymatgen
data_Li2FeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81521500
_cell_length_b   5.82714800
_cell_length_c   10.78449100
_cell_angle_alpha   90.00000000
_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   302.60171436
_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  0.69732600  0.49662400  0.58395600  1
  Li  Li1  1  0.80267400  0.49662400  0.08395600  1
  Li  Li2  1  0.80267400  0.00337600  0.08395600  1
  Li  Li3  1  0.69732600  0.00337600  0.58395600  1
  Li  Li4  1  0.19732600  0.99662400  0.91604400  1
  Li  Li5  1  0.30267400  0.99662400  0.41604400  1
  Li  Li6  1  0.30267400  0.50337600  0.41604400  1
  Li  Li7  1  0.19732600  0.50337600  0.91604400  1
  Fe  Fe8  1  0.68839400  0.75000000  0.82177600  1
  Fe  Fe9  1  0.81160600  0.75000000  0.32177600  1
  Fe  Fe10  1  0.18839400  0.25000000  0.67822400  1
  Fe  Fe11  1  0.31160600  0.25000000  0.17822400  1
  B  B12  1  0.18244400  0.75000000  0.66422700  1
  B  B13  1  0.31755600  0.75000000  0.16422700  1
  B  B14  1  0.81755600  0.25000000  0.33577300  1
  B  B15  1  0.68244400  0.25000000  0.83577300  1
  O  O16  1  0.28040600  0.53706200  0.59735800  1
  O  O17  1  0.21959400  0.53706200  0.09735800  1
  O  O18  1  0.87370100  0.75000000  0.66687600  1
  O  O19  1  0.20725800  0.75000000  0.29591300  1
  O  O20  1  0.62629900  0.75000000  0.16687600  1
  O  O21  1  0.29274200  0.75000000  0.79591300  1
  O  O22  1  0.21959400  0.96293800  0.09735800  1
  O  O23  1  0.28040600  0.96293800  0.59735800  1
  O  O24  1  0.71959400  0.03706200  0.40264200  1
  O  O25  1  0.78040600  0.03706200  0.90264200  1
  O  O26  1  0.12629900  0.25000000  0.33312400  1
  O  O27  1  0.37370100  0.25000000  0.83312400  1
  O  O28  1  0.79274200  0.25000000  0.70408700  1
  O  O29  1  0.70725800  0.25000000  0.20408700  1
  O  O30  1  0.71959400  0.46293800  0.40264200  1
  O  O31  1  0.78040600  0.46293800  0.90264200  1
