# generated using pymatgen
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16248500
_cell_length_b   8.26232600
_cell_length_c   14.29922708
_cell_angle_alpha   89.82061415
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnFe(BO3)2
_chemical_formula_sum   'Li6 Mn3 Fe3 B6 O18'
_cell_volume   373.62956602
_cell_formula_units_Z   3
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  0.70744900  0.99089100  1
  Li  Li1  1  0.50000000  0.65968500  0.35822600  1
  Li  Li2  1  0.50000000  0.63445800  0.64991400  1
  Li  Li3  1  0.50000000  0.20759600  0.49090900  1
  Li  Li4  1  0.50000000  0.15747100  0.85672100  1
  Li  Li5  1  0.50000000  0.13282000  0.15113500  1
  Mn  Mn6  1  0.00000000  0.80813800  0.18014400  1
  Mn  Mn7  1  0.00000000  0.36550600  0.00585300  1
  Mn  Mn8  1  0.00000000  0.30738200  0.68031600  1
  Fe  Fe9  1  0.00000000  0.86411600  0.50424200  1
  Fe  Fe10  1  0.00000000  0.82421500  0.81628800  1
  Fe  Fe11  1  0.00000000  0.32410700  0.31703700  1
  B  B12  1  0.50000000  0.99732600  0.66597200  1
  B  B13  1  0.00000000  0.00065200  0.99867600  1
  B  B14  1  0.50000000  0.00101000  0.33448500  1
  B  B15  1  0.50000000  0.49790400  0.16803300  1
  B  B16  1  0.00000000  0.50224200  0.49984500  1
  B  B17  1  0.50000000  0.50219500  0.83330900  1
  O  O18  1  0.50000000  0.98899100  0.43142000  1
  O  O19  1  0.50000000  0.98065000  0.76291700  1
  O  O20  1  0.50000000  0.86180000  0.60859900  1
  O  O21  1  0.50000000  0.86199300  0.28026500  1
  O  O22  1  0.00000000  0.84686500  0.95816200  1
  O  O23  1  0.50000000  0.65099000  0.12643000  1
  O  O24  1  0.50000000  0.65310200  0.78984500  1
  O  O25  1  0.00000000  0.64088500  0.44413300  1
  O  O26  1  0.00000000  0.51657800  0.59653800  1
  O  O27  1  0.50000000  0.49144300  0.93010400  1
  O  O28  1  0.50000000  0.48210000  0.26493100  1
  O  O29  1  0.50000000  0.36065000  0.11180500  1
  O  O30  1  0.50000000  0.36193800  0.77999000  1
  O  O31  1  0.00000000  0.34944800  0.45822800  1
  O  O32  1  0.50000000  0.15171400  0.62570100  1
  O  O33  1  0.50000000  0.15263800  0.29168400  1
  O  O34  1  0.00000000  0.13714500  0.94162000  1
  O  O35  1  0.00000000  0.01679700  0.09562900  1
