# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24006500
_cell_length_b   9.15870672
_cell_length_c   11.28207374
_cell_angle_alpha   111.67511023
_cell_angle_beta   103.25633026
_cell_angle_gamma   90.91416063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   486.71860385
_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  0.61864600  0.96596500  0.58901300  1
  Li  Li1  1  0.37885200  0.72146700  0.09702300  1
  Li  Li2  1  0.10116200  0.75773300  0.84944400  1
  Li  Li3  1  0.11612000  0.46551400  0.58241600  1
  Fe  Fe4  1  0.64550800  0.64967800  0.61743700  1
  Fe  Fe5  1  0.37489300  0.06589200  0.12508800  1
  Fe  Fe6  1  0.85493200  0.84325300  0.36818200  1
  Fe  Fe7  1  0.11549800  0.42778200  0.86957300  1
  Fe  Fe8  1  0.89277600  0.55848200  0.12237500  1
  Fe  Fe9  1  0.14412000  0.14676800  0.62036800  1
  Fe  Fe10  1  0.35264300  0.34648600  0.36080500  1
  Fe  Fe11  1  0.60843600  0.94056600  0.87632600  1
  B  B12  1  0.64103400  0.31036500  0.61948200  1
  B  B13  1  0.39590400  0.40212500  0.12595600  1
  B  B14  1  0.85616600  0.19205900  0.38043100  1
  B  B15  1  0.09843300  0.09186600  0.85976600  1
  B  B16  1  0.15622700  0.81968300  0.63074900  1
  B  B17  1  0.88040300  0.88047500  0.11212400  1
  B  B18  1  0.34855500  0.68303500  0.37174500  1
  B  B19  1  0.61208600  0.61586300  0.88052600  1
  O  O20  1  0.13916100  0.88139000  0.10938400  1
  O  O21  1  0.28229200  0.29562600  0.16596600  1
  O  O22  1  0.23581100  0.50413800  0.08349000  1
  O  O23  1  0.49846100  0.81633700  0.39288400  1
  O  O24  1  0.46371600  0.56760500  0.41412800  1
  O  O25  1  0.58429200  0.17984700  0.33405900  1
  O  O26  1  0.92090700  0.33116800  0.65195700  1
  O  O27  1  0.65306500  0.40910100  0.12591200  1
  O  O28  1  0.76366000  0.77401800  0.15328200  1
  O  O29  1  0.01060100  0.92575900  0.58830100  1
  O  O30  1  0.03428100  0.69205100  0.64033200  1
  O  O31  1  0.71503000  0.97879500  0.06946700  1
  O  O32  1  0.26029800  0.99272000  0.90443600  1
  O  O33  1  0.01362400  0.31876400  0.38864600  1
  O  O34  1  0.96837900  0.08083700  0.42673600  1
  O  O35  1  0.20151700  0.19866100  0.81698500  1
  O  O36  1  0.35175200  0.61542600  0.88510200  1
  O  O37  1  0.07852300  0.66078500  0.31610400  1
  O  O38  1  0.43051600  0.84801700  0.66651500  1
  O  O39  1  0.50182000  0.42070700  0.58320000  1
  O  O40  1  0.51047600  0.18092200  0.62280400  1
  O  O41  1  0.78045200  0.52155400  0.92350800  1
  O  O42  1  0.71594700  0.72214500  0.83425600  1
  O  O43  1  0.83846900  0.08008500  0.85562100  1
