# generated using pymatgen
data_Li2FeBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89167600
_cell_length_b   6.42597300
_cell_length_c   9.92864450
_cell_angle_alpha   89.66225304
_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   312.08938374
_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  0.67513000  0.00221400  0.41546200  1
  Li  Li1  1  0.82487000  0.00221400  0.91546200  1
  Li  Li2  1  0.15178900  0.74206600  0.34611900  1
  Li  Li3  1  0.34821100  0.74206600  0.84611900  1
  Li  Li4  1  0.65178900  0.25793400  0.15388100  1
  Li  Li5  1  0.84821100  0.25793400  0.65388100  1
  Li  Li6  1  0.17513000  0.99778600  0.08453800  1
  Li  Li7  1  0.32487000  0.99778600  0.58453800  1
  Fe  Fe8  1  0.65018100  0.73834600  0.16775400  1
  Fe  Fe9  1  0.84981900  0.73834600  0.66775400  1
  Fe  Fe10  1  0.15018100  0.26165400  0.33224600  1
  Fe  Fe11  1  0.34981900  0.26165400  0.83224600  1
  B  B12  1  0.15284800  0.50023600  0.08274500  1
  B  B13  1  0.34715200  0.50023600  0.58274500  1
  B  B14  1  0.65284800  0.49976400  0.41725500  1
  B  B15  1  0.84715200  0.49976400  0.91725500  1
  O  O16  1  0.77143700  0.98956700  0.11267800  1
  O  O17  1  0.72856300  0.98956700  0.61267800  1
  O  O18  1  0.26337900  0.68928400  0.13915000  1
  O  O19  1  0.23662100  0.68928400  0.63915000  1
  O  O20  1  0.74998900  0.68900400  0.35469200  1
  O  O21  1  0.75001100  0.68900400  0.85469200  1
  O  O22  1  0.83204700  0.50697000  0.07329000  1
  O  O23  1  0.66795300  0.50697000  0.57329000  1
  O  O24  1  0.33204700  0.49303000  0.42671000  1
  O  O25  1  0.16795300  0.49303000  0.92671000  1
  O  O26  1  0.24998900  0.31099600  0.14530800  1
  O  O27  1  0.25001100  0.31099600  0.64530800  1
  O  O28  1  0.76337900  0.31071600  0.36085000  1
  O  O29  1  0.73662100  0.31071600  0.86085000  1
  O  O30  1  0.27143700  0.01043300  0.38732200  1
  O  O31  1  0.22856300  0.01043300  0.88732200  1
