# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24505000
_cell_length_b   5.27966975
_cell_length_c   10.13586467
_cell_angle_alpha   91.37103037
_cell_angle_beta   90.04314200
_cell_angle_gamma   119.57764992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li2 Fe4 B4 O12'
_cell_volume   244.01175452
_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  0.33118600  0.34864600  0.84353200  1
  Li  Li1  1  0.66455800  0.66056800  0.12187700  1
  Fe  Fe2  1  0.32280400  0.97940300  0.62107400  1
  Fe  Fe3  1  0.99348300  0.67910700  0.87308600  1
  Fe  Fe4  1  0.00303800  0.32717000  0.12050100  1
  Fe  Fe5  1  0.66814400  0.01197700  0.36794300  1
  B  B6  1  0.66798200  0.00591700  0.87087700  1
  B  B7  1  0.99142500  0.32551000  0.62365300  1
  B  B8  1  0.99786800  0.66701200  0.36771100  1
  B  B9  1  0.33270900  0.99782100  0.12054200  1
  O  O10  1  0.72753900  0.10788500  0.56685100  1
  O  O11  1  0.92469100  0.26002000  0.90519900  1
  O  O12  1  0.42538900  0.02319400  0.82086100  1
  O  O13  1  0.01408000  0.59077000  0.66049700  1
  O  O14  1  0.35293100  0.26465700  0.10949000  1
  O  O15  1  0.21763800  0.27322100  0.64667100  1
  O  O16  1  0.77237800  0.71928200  0.34551400  1
  O  O17  1  0.64494500  0.73732200  0.88712500  1
  O  O18  1  0.97847600  0.40289600  0.33208600  1
  O  O19  1  0.57551400  0.97673700  0.16739500  1
  O  O20  1  0.07686000  0.74024300  0.08463100  1
  O  O21  1  0.26400700  0.88584900  0.42364200  1
