# generated using pymatgen
data_Li2Fe3(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11816800
_cell_length_b   8.16184000
_cell_length_c   8.21393450
_cell_angle_alpha   60.25268231
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe3(BO3)3
_chemical_formula_sum   'Li4 Fe6 B6 O18'
_cell_volume   356.11602628
_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  0.00000000  0.72399400  0.31193000  1
  Li  Li1  1  0.50000000  0.98949400  0.71183800  1
  Li  Li2  1  0.00000000  0.29278900  0.97879300  1
  Li  Li3  1  0.50000000  0.29659200  0.97572500  1
  Fe  Fe4  1  0.25132700  0.64004500  0.01091000  1
  Fe  Fe5  1  0.74867300  0.64004500  0.01091000  1
  Fe  Fe6  1  0.74853900  0.36411700  0.61755000  1
  Fe  Fe7  1  0.25146100  0.36411700  0.61755000  1
  Fe  Fe8  1  0.24858200  0.00462100  0.36992500  1
  Fe  Fe9  1  0.75141800  0.00462100  0.36992500  1
  B  B10  1  0.50000000  0.32616700  0.32698700  1
  B  B11  1  0.00000000  0.33471600  0.32770500  1
  B  B12  1  0.24900900  0.00030900  0.00591200  1
  B  B13  1  0.75099100  0.00030900  0.00591200  1
  B  B14  1  0.50000000  0.66520600  0.66987300  1
  B  B15  1  0.00000000  0.66633100  0.66860800  1
  O  O16  1  0.76672900  0.90032200  0.19524700  1
  O  O17  1  0.23327100  0.90032200  0.19524700  1
  O  O18  1  0.00000000  0.53775300  0.20275800  1
  O  O19  1  0.50000000  0.52419800  0.20476400  1
  O  O20  1  0.00000000  0.85556100  0.54808800  1
  O  O21  1  0.50000000  0.85834600  0.55884200  1
  O  O22  1  0.26423600  0.90051400  0.90491100  1
  O  O23  1  0.73576400  0.90051400  0.90491100  1
  O  O24  1  0.00000000  0.54110500  0.60276100  1
  O  O25  1  0.50000000  0.53741900  0.61013400  1
  O  O26  1  0.50000000  0.21029300  0.24922600  1
  O  O27  1  0.00000000  0.22046300  0.24865800  1
  O  O28  1  0.50000000  0.25574700  0.51868400  1
  O  O29  1  0.00000000  0.27059700  0.51490000  1
  O  O30  1  0.00000000  0.59256200  0.86673800  1
  O  O31  1  0.50000000  0.59296400  0.86866300  1
  O  O32  1  0.25163200  0.19533000  0.90414100  1
  O  O33  1  0.74836800  0.19533000  0.90414100  1
