# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24803300
_cell_length_b   9.11442748
_cell_length_c   11.33347533
_cell_angle_alpha   112.65621627
_cell_angle_beta   103.25333450
_cell_angle_gamma   89.57606874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   484.97474549
_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  0.03013900  0.03527900  0.41075900  1
  Li  Li1  1  0.48256700  0.50759400  0.66065500  1
  Li  Li2  1  0.52629500  0.52778600  0.39538000  1
  Li  Li3  1  0.76070600  0.74781100  0.15490200  1
  Fe  Fe4  1  0.03502800  0.35415600  0.38111000  1
  Fe  Fe5  1  0.26753500  0.93493300  0.87919500  1
  Fe  Fe6  1  0.48958600  0.14864000  0.63483800  1
  Fe  Fe7  1  0.23129400  0.55925100  0.12450400  1
  Fe  Fe8  1  0.76385100  0.43158100  0.87883200  1
  Fe  Fe9  1  0.52901200  0.84727300  0.38170500  1
  Fe  Fe10  1  0.96836000  0.66541900  0.63270200  1
  Fe  Fe11  1  0.73795300  0.07321700  0.13093200  1
  B  B12  1  0.01730200  0.68238700  0.36917800  1
  B  B13  1  0.26531400  0.60718200  0.87879800  1
  B  B14  1  0.46849400  0.81329500  0.62725000  1
  B  B15  1  0.23812600  0.89241700  0.12773700  1
  B  B16  1  0.52476400  0.18708700  0.37989000  1
  B  B17  1  0.76942100  0.10009700  0.87860200  1
  B  B18  1  0.98474300  0.31617900  0.62352200  1
  B  B19  1  0.73188800  0.40363500  0.13523800  1
  O  O20  1  0.02349800  0.08433100  0.87782200  1
  O  O21  1  0.12070700  0.72338800  0.84763600  1
  O  O22  1  0.15121800  0.51981600  0.93503900  1
  O  O23  1  0.12252900  0.18293700  0.61155500  1
  O  O24  1  0.08025500  0.43527400  0.59348600  1
  O  O25  1  0.25948300  0.84447100  0.68587300  1
  O  O26  1  0.25618200  0.65164300  0.33143400  1
  O  O27  1  0.50487500  0.58027200  0.85323600  1
  O  O28  1  0.62374000  0.19985400  0.82644700  1
  O  O29  1  0.42208100  0.07881100  0.42160800  1
  O  O30  1  0.41144800  0.32317500  0.38665200  1
  O  O31  1  0.64174000  0.01828400  0.93474300  1
  O  O32  1  0.37019600  0.98585000  0.08441800  1
  O  O33  1  0.58050100  0.67128300  0.60300900  1
  O  O34  1  0.55553200  0.92465800  0.58489100  1
  O  O35  1  0.37987000  0.77905200  0.16426000  1
  O  O36  1  0.48214900  0.42061200  0.14770400  1
  O  O37  1  0.74088300  0.32633500  0.65722900  1
  O  O38  1  0.75701600  0.15246200  0.33271800  1
  O  O39  1  0.91101700  0.58236000  0.41446700  1
  O  O40  1  0.89274000  0.81196300  0.35694300  1
  O  O41  1  0.85252300  0.50869600  0.09621100  1
  O  O42  1  0.87285600  0.28710800  0.16613100  1
  O  O43  1  0.98337700  0.91344500  0.13924400  1
