# generated using pymatgen
data_Li3FeB4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71526500
_cell_length_b   5.71332500
_cell_length_c   6.78721015
_cell_angle_alpha   78.52081286
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3FeB4O9
_chemical_formula_sum   'Li6 Fe2 B8 O18'
_cell_volume   331.19639123
_cell_formula_units_Z   2
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  0.43674400  0.76718100  0.15947600  1
  Li  Li1  1  0.06325600  0.76718100  0.15947600  1
  Li  Li2  1  0.75000000  0.57704100  0.49086400  1
  Li  Li3  1  0.25000000  0.42295900  0.50913600  1
  Li  Li4  1  0.93674400  0.23281900  0.84052400  1
  Li  Li5  1  0.56325600  0.23281900  0.84052400  1
  Fe  Fe6  1  0.75000000  0.75005600  0.87987600  1
  Fe  Fe7  1  0.25000000  0.24994400  0.12012400  1
  B  B8  1  0.75000000  0.97632300  0.22837300  1
  B  B9  1  0.25000000  0.86961900  0.46743100  1
  B  B10  1  0.45240200  0.72621100  0.72122300  1
  B  B11  1  0.04759800  0.72621100  0.72122300  1
  B  B12  1  0.95240200  0.27378900  0.27877700  1
  B  B13  1  0.54759800  0.27378900  0.27877700  1
  B  B14  1  0.75000000  0.13038100  0.53256900  1
  B  B15  1  0.25000000  0.02367700  0.77162700  1
  O  O16  1  0.10688100  0.87435900  0.84416100  1
  O  O17  1  0.39311900  0.87435900  0.84416100  1
  O  O18  1  0.75000000  0.91907800  0.44670400  1
  O  O19  1  0.25000000  0.92161400  0.24837400  1
  O  O20  1  0.38708200  0.71330500  0.53918500  1
  O  O21  1  0.11291800  0.71330500  0.53918500  1
  O  O22  1  0.75000000  0.75722500  0.15267700  1
  O  O23  1  0.91911800  0.58946700  0.78574900  1
  O  O24  1  0.58088200  0.58946700  0.78574900  1
  O  O25  1  0.08088200  0.41053300  0.21425100  1
  O  O26  1  0.41911800  0.41053300  0.21425100  1
  O  O27  1  0.25000000  0.24277500  0.84732300  1
  O  O28  1  0.88708200  0.28669500  0.46081500  1
  O  O29  1  0.61291800  0.28669500  0.46081500  1
  O  O30  1  0.75000000  0.07838600  0.75162600  1
  O  O31  1  0.25000000  0.08092200  0.55329600  1
  O  O32  1  0.89311900  0.12564100  0.15583900  1
  O  O33  1  0.60688100  0.12564100  0.15583900  1
