# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22683600
_cell_length_b   9.10604262
_cell_length_c   11.39827001
_cell_angle_alpha   112.67459744
_cell_angle_beta   103.00084165
_cell_angle_gamma   89.63024444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   485.79926966
_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  0.28427000  0.26943000  0.89927600  1
  Li  Li1  1  0.47700000  0.49812200  0.65213500  1
  Li  Li2  1  0.52961000  0.53315100  0.40766800  1
  Li  Li3  1  0.76744600  0.75741000  0.16397500  1
  Fe  Fe4  1  0.03338300  0.34429700  0.37846100  1
  Fe  Fe5  1  0.26677200  0.92744200  0.87761600  1
  Fe  Fe6  1  0.47445600  0.15132700  0.62704200  1
  Fe  Fe7  1  0.24457100  0.55806600  0.13358500  1
  Fe  Fe8  1  0.77197800  0.43854100  0.87627700  1
  Fe  Fe9  1  0.51290300  0.85887400  0.38415100  1
  Fe  Fe10  1  0.97069600  0.65850500  0.63075000  1
  Fe  Fe11  1  0.74071900  0.07773900  0.12941100  1
  B  B12  1  0.00785100  0.67998800  0.37354600  1
  B  B13  1  0.26138600  0.59816600  0.87346900  1
  B  B14  1  0.46929300  0.80898200  0.62483100  1
  B  B15  1  0.23713900  0.89657200  0.12878800  1
  B  B16  1  0.53374500  0.18886200  0.37676500  1
  B  B17  1  0.77615100  0.11079000  0.88499200  1
  B  B18  1  0.99155700  0.32649100  0.63977900  1
  B  B19  1  0.72830200  0.39385400  0.11918500  1
  O  O20  1  0.03211200  0.09226400  0.87887000  1
  O  O21  1  0.11932600  0.71460200  0.84587000  1
  O  O22  1  0.14817300  0.49620800  0.91755200  1
  O  O23  1  0.12737400  0.20633600  0.65510200  1
  O  O24  1  0.08265300  0.42982800  0.59083500  1
  O  O25  1  0.26314800  0.84293900  0.68747400  1
  O  O26  1  0.26079700  0.66989900  0.34668100  1
  O  O27  1  0.51253700  0.57940900  0.85646200  1
  O  O28  1  0.63687100  0.22499000  0.84880700  1
  O  O29  1  0.45076200  0.07887000  0.42103100  1
  O  O30  1  0.41608500  0.32738500  0.39427400  1
  O  O31  1  0.63991000  0.02014200  0.92975300  1
  O  O32  1  0.36711700  0.98013400  0.07581200  1
  O  O33  1  0.58327300  0.66739500  0.60634900  1
  O  O34  1  0.55300700  0.91368600  0.57615500  1
  O  O35  1  0.38447900  0.79462100  0.17839900  1
  O  O36  1  0.46371000  0.38133100  0.10746700  1
  O  O37  1  0.74828900  0.35513800  0.67903200  1
  O  O38  1  0.74592200  0.15715400  0.31790800  1
  O  O39  1  0.91711200  0.57374000  0.41761000  1
  O  O40  1  0.84968000  0.79219600  0.35074200  1
  O  O41  1  0.83864100  0.50828500  0.08335000  1
  O  O42  1  0.88837800  0.29150200  0.16073400  1
  O  O43  1  0.97708500  0.91100300  0.13051200  1
