# generated using pymatgen
data_Li3Fe2(BO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19665100
_cell_length_b   6.63769200
_cell_length_c   10.94372966
_cell_angle_alpha   82.81890232
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(BO4)2
_chemical_formula_sum   'Li6 Fe4 B4 O16'
_cell_volume   374.52944350
_cell_formula_units_Z   2
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  0.90196700  0.89135900  0.78675100  1
  Li  Li1  1  0.09803300  0.89135900  0.28675100  1
  Li  Li2  1  0.58854500  0.20859100  0.93127400  1
  Li  Li3  1  0.41145500  0.20859100  0.43127400  1
  Li  Li4  1  0.39725900  0.09606900  0.70927100  1
  Li  Li5  1  0.60274100  0.09606900  0.20927100  1
  Fe  Fe6  1  0.09713400  0.48705900  0.84472100  1
  Fe  Fe7  1  0.58550300  0.50189200  0.65309500  1
  Fe  Fe8  1  0.90286600  0.48705900  0.34472100  1
  Fe  Fe9  1  0.41449700  0.50189200  0.15309500  1
  B  B10  1  0.42548100  0.80453800  0.92883000  1
  B  B11  1  0.57451900  0.80453800  0.42883000  1
  B  B12  1  0.91790600  0.20572000  0.56851600  1
  B  B13  1  0.08209400  0.20572000  0.06851600  1
  O  O14  1  0.56005100  0.95074500  0.85908200  1
  O  O15  1  0.43994900  0.95074500  0.35908200  1
  O  O16  1  0.18334000  0.74270000  0.89458100  1
  O  O17  1  0.81666000  0.74270000  0.39458100  1
  O  O18  1  0.47354200  0.71271900  0.53970800  1
  O  O19  1  0.52645800  0.71271900  0.03970800  1
  O  O20  1  0.86579100  0.60313600  0.72615400  1
  O  O21  1  0.13420900  0.60313600  0.22615400  1
  O  O22  1  0.40131400  0.37753900  0.78806400  1
  O  O23  1  0.59868600  0.37753900  0.28806400  1
  O  O24  1  0.95113600  0.28589900  0.96103900  1
  O  O25  1  0.04886400  0.28589900  0.46103900  1
  O  O26  1  0.65157900  0.25762800  0.57677500  1
  O  O27  1  0.34842100  0.25762800  0.07677500  1
  O  O28  1  0.04049600  0.09127100  0.65977800  1
  O  O29  1  0.95950400  0.09127100  0.15977800  1
