# generated using pymatgen
data_LiFe2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27131700
_cell_length_b   9.12548193
_cell_length_c   10.18063909
_cell_angle_alpha   89.56725804
_cell_angle_beta   89.22029574
_cell_angle_gamma   89.72655085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(BO3)2
_chemical_formula_sum   'Li4 Fe8 B8 O24'
_cell_volume   489.65776614
_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  0.65925300  0.98897900  0.84434800  1
  Li  Li1  1  0.34262500  0.00610100  0.12779100  1
  Li  Li2  1  0.14822400  0.51343500  0.33434900  1
  Li  Li3  1  0.15469700  0.48959900  0.83209600  1
  Fe  Fe4  1  0.83861100  0.82702500  0.12283700  1
  Fe  Fe5  1  0.15935500  0.84797000  0.37317200  1
  Fe  Fe6  1  0.66350800  0.65458300  0.87052300  1
  Fe  Fe7  1  0.35022000  0.67202800  0.61794000  1
  Fe  Fe8  1  0.65887900  0.32455300  0.36715000  1
  Fe  Fe9  1  0.84500400  0.17092800  0.62374500  1
  Fe  Fe10  1  0.34493300  0.34282200  0.11629100  1
  Fe  Fe11  1  0.16002900  0.15759900  0.87266900  1
  B  B12  1  0.84654200  0.83452500  0.62625700  1
  B  B13  1  0.66171200  0.65562200  0.36749800  1
  B  B14  1  0.16744100  0.82973800  0.87379700  1
  B  B15  1  0.33751200  0.67716000  0.12477300  1
  B  B16  1  0.65918600  0.33204800  0.86735200  1
  B  B17  1  0.33917400  0.33260800  0.62328900  1
  B  B18  1  0.84386900  0.15616600  0.12490200  1
  B  B19  1  0.16803300  0.17758400  0.36713400  1
  O  O20  1  0.75566700  0.97183000  0.65047000  1
  O  O21  1  0.91320800  0.82694300  0.91572600  1
  O  O22  1  0.30706200  0.95540400  0.88453100  1
  O  O23  1  0.79089900  0.77780800  0.31866300  1
  O  O24  1  0.69762700  0.71392100  0.65912800  1
  O  O25  1  0.20454400  0.80755200  0.15442800  1
  O  O26  1  0.08817200  0.81329900  0.57466700  1
  O  O27  1  0.58041700  0.69120600  0.07271500  1
  O  O28  1  0.78126100  0.52153300  0.36748200  1
  O  O29  1  0.41086600  0.66855700  0.41577700  1
  O  O30  1  0.27504700  0.70004900  0.82293500  1
  O  O31  1  0.80505700  0.45442200  0.86827200  1
  O  O32  1  0.23007700  0.54536000  0.14806400  1
  O  O33  1  0.71004200  0.27542300  0.17599600  1
  O  O34  1  0.57595000  0.30459300  0.56662400  1
  O  O35  1  0.25503800  0.47253000  0.64196300  1
  O  O36  1  0.40398600  0.33540000  0.90658800  1
  O  O37  1  0.92626200  0.18866400  0.42649300  1
  O  O38  1  0.76618500  0.19749400  0.82525100  1
  O  O39  1  0.29006200  0.31149100  0.33789400  1
  O  O40  1  0.19158500  0.21570400  0.66624600  1
  O  O41  1  0.71513100  0.02474600  0.11307100  1
  O  O42  1  0.09424600  0.16834900  0.08342900  1
  O  O43  1  0.27349600  0.04786500  0.33680400  1
