# generated using pymatgen
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08122880
_cell_length_b   8.10410614
_cell_length_c   14.05523100
_cell_angle_alpha   89.85240333
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MnFe2(BO3)3
_chemical_formula_sum   'Li6 Mn2 Fe4 B6 O18'
_cell_volume   350.96646040
_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  0.50000000  0.70617741  0.99482311  1
  Li  Li1  1  0.50000000  0.65943606  0.35597315  1
  Li  Li2  1  0.50000000  0.63756081  0.64993817  1
  Li  Li3  1  0.50000000  0.20540675  0.49167463  1
  Li  Li4  1  0.50000000  0.15541258  0.85560724  1
  Li  Li5  1  0.50000000  0.13462507  0.15142701  1
  Mn  Mn6  1  0.00000000  0.36775686  0.00624060  1
  Mn  Mn7  1  -0.00000000  0.30774373  0.68063217  1
  Fe  Fe8  1  -0.00000000  0.86210081  0.50136486  1
  Fe  Fe9  1  -0.00000000  0.82229022  0.81738413  1
  Fe  Fe10  1  -0.00000000  0.81562074  0.18036001  1
  Fe  Fe11  1  0.00000000  0.32164990  0.31810500  1
  B  B12  1  0.50000000  0.99652436  0.66490491  1
  B  B13  1  -0.00000000  0.99931083  0.99876696  1
  B  B14  1  0.50000000  0.00026018  0.33306229  1
  B  B15  1  0.50000000  0.50030770  0.16972784  1
  B  B16  1  -0.00000000  0.50191296  0.49986358  1
  B  B17  1  0.50000000  0.50323687  0.83348716  1
  O  O18  1  0.50000000  0.98949287  0.43113951  1
  O  O19  1  0.50000000  0.97903839  0.76280573  1
  O  O20  1  0.50000000  0.86065734  0.60606123  1
  O  O21  1  0.50000000  0.85852433  0.27851048  1
  O  O22  1  0.00000000  0.84384579  0.95797629  1
  O  O23  1  0.50000000  0.65607045  0.12923048  1
  O  O24  1  0.50000000  0.65417844  0.78766551  1
  O  O25  1  -0.00000000  0.64098590  0.44229461  1
  O  O26  1  -0.00000000  0.51762265  0.59726438  1
  O  O27  1  0.50000000  0.49578299  0.93141290  1
  O  O28  1  0.50000000  0.48075952  0.26720328  1
  O  O29  1  0.50000000  0.36154514  0.11184685  1
  O  O30  1  0.50000000  0.35927815  0.78147401  1
  O  O31  1  0.00000000  0.34686367  0.45830425  1
  O  O32  1  0.50000000  0.15334505  0.62479099  1
  O  O33  1  0.50000000  0.15306574  0.28925724  1
  O  O34  1  -0.00000000  0.13808661  0.94227290  1
  O  O35  1  0.00000000  0.01352410  0.09714655  1
