# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25018500
_cell_length_b   9.10989222
_cell_length_c   11.41870618
_cell_angle_alpha   113.16487256
_cell_angle_beta   102.95340992
_cell_angle_gamma   89.43100098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   487.46227823
_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  0.02773700  0.03699200  0.41497700  1
  Li  Li1  1  0.48816000  0.51213600  0.66640900  1
  Li  Li2  1  0.26105300  0.24113700  0.15315500  1
  Li  Li3  1  0.77023700  0.74711900  0.16139200  1
  Fe  Fe4  1  0.01138900  0.36094300  0.38157700  1
  Fe  Fe5  1  0.26888000  0.93437600  0.87459300  1
  Fe  Fe6  1  0.48014500  0.14881800  0.63331900  1
  Fe  Fe7  1  0.23894900  0.56731900  0.12688800  1
  Fe  Fe8  1  0.77331400  0.42602000  0.87246600  1
  Fe  Fe9  1  0.52825600  0.84280000  0.38834900  1
  Fe  Fe10  1  0.96107800  0.66563800  0.62744600  1
  Fe  Fe11  1  0.75084000  0.05731100  0.12566600  1
  B  B12  1  0.02500100  0.68324100  0.36717400  1
  B  B13  1  0.26419600  0.60362300  0.87931300  1
  B  B14  1  0.47110000  0.81382500  0.63220300  1
  B  B15  1  0.24259800  0.89291400  0.12822900  1
  B  B16  1  0.50777600  0.18029700  0.37354500  1
  B  B17  1  0.77524400  0.10513400  0.88377100  1
  B  B18  1  0.98305800  0.31926700  0.62301900  1
  B  B19  1  0.73294100  0.40080500  0.13026400  1
  O  O20  1  0.03678100  0.09544300  0.89313200  1
  O  O21  1  0.13862200  0.72027600  0.84725400  1
  O  O22  1  0.13598900  0.51904800  0.93307900  1
  O  O23  1  0.10069800  0.18189200  0.60837600  1
  O  O24  1  0.08089300  0.43046800  0.58143000  1
  O  O25  1  0.24685100  0.84686300  0.68305900  1
  O  O26  1  0.24665800  0.65309000  0.31556400  1
  O  O27  1  0.50458300  0.56264900  0.85608800  1
  O  O28  1  0.64466000  0.21601300  0.84082000  1
  O  O29  1  0.42402100  0.07158200  0.41595500  1
  O  O30  1  0.34451100  0.29104700  0.35079500  1
  O  O31  1  0.63564900  0.01306600  0.92466500  1
  O  O32  1  0.34841700  0.00331300  0.09117600  1
  O  O33  1  0.59119000  0.67829200  0.62691200  1
  O  O34  1  0.56140100  0.91690900  0.58619500  1
  O  O35  1  0.40211100  0.77782000  0.15402600  1
  O  O36  1  0.47341800  0.40523900  0.13079000  1
  O  O37  1  0.75954300  0.35468100  0.67573700  1
  O  O38  1  0.76186800  0.17802000  0.34947300  1
  O  O39  1  0.94457100  0.58224500  0.41837900  1
  O  O40  1  0.88926100  0.81060200  0.36091900  1
  O  O41  1  0.84737800  0.50208600  0.08460900  1
  O  O42  1  0.88925900  0.30007500  0.17513600  1
  O  O43  1  0.99009600  0.89489300  0.14155100  1
