# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84738017
_cell_length_b   8.84738017
_cell_length_c   8.27254358
_cell_angle_alpha   62.14287831
_cell_angle_beta   62.14287831
_cell_angle_gamma   42.04876255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2Fe(BO3)3
_chemical_formula_sum   'Li6 Mn4 Fe2 B6 O18'
_cell_volume   375.44643785
_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  0.24088500  0.74084900  0.30176700  1
  Li  Li1  1  0.74084900  0.24088500  0.30176700  1
  Li  Li2  1  0.40147300  0.89968100  0.71574600  1
  Li  Li3  1  0.89968100  0.40147300  0.71574600  1
  Li  Li4  1  0.10803700  0.60797200  0.98242700  1
  Li  Li5  1  0.60797200  0.10803700  0.98242700  1
  Mn  Mn6  1  0.17986100  0.17986100  0.01224600  1
  Mn  Mn7  1  0.67988200  0.67988200  0.01206000  1
  Mn  Mn8  1  0.00636900  0.00636900  0.62810600  1
  Mn  Mn9  1  0.31420000  0.31420000  0.35934500  1
  Fe  Fe10  1  0.50404000  0.50404000  0.63243900  1
  Fe  Fe11  1  0.81587300  0.81587300  0.35999500  1
  B  B12  1  0.58368500  0.08407700  0.66578500  1
  B  B13  1  0.08407700  0.58368500  0.66578500  1
  B  B14  1  0.41887600  0.91416100  0.33488300  1
  B  B15  1  0.91416100  0.41887600  0.33488300  1
  B  B16  1  0.99887400  0.99887400  0.00035600  1
  B  B17  1  0.50095100  0.50095100  0.99753500  1
  O  O18  1  0.46075400  0.46075400  0.19113400  1
  O  O19  1  0.95803500  0.95803500  0.19505100  1
  O  O20  1  0.03728700  0.54462600  0.55772100  1
  O  O21  1  0.54462600  0.03728700  0.55772100  1
  O  O22  1  0.09582500  0.09582500  0.88719400  1
  O  O23  1  0.59765500  0.59765500  0.88384700  1
  O  O24  1  0.67652300  0.18503300  0.58025900  1
  O  O25  1  0.18503300  0.67652300  0.58025900  1
  O  O26  1  0.02990200  0.52974200  0.85923100  1
  O  O27  1  0.52974200  0.02990200  0.85923100  1
  O  O28  1  0.37539200  0.87570100  0.22272900  1
  O  O29  1  0.87570100  0.37539200  0.22272900  1
  O  O30  1  0.44431400  0.44431400  0.91623100  1
  O  O31  1  0.94185700  0.94185700  0.92113900  1
  O  O32  1  0.51579000  0.01142000  0.25284600  1
  O  O33  1  0.01142000  0.51579000  0.25284600  1
  O  O34  1  0.36312400  0.85727600  0.52826600  1
  O  O35  1  0.85727600  0.36312400  0.52826600  1
