# generated using pymatgen
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14831400
_cell_length_b   8.26642800
_cell_length_c   14.29595747
_cell_angle_alpha   89.98531531
_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   372.05672700
_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  0.70702600  0.01032900  1
  Li  Li1  1  0.50000000  0.65962200  0.64147800  1
  Li  Li2  1  0.50000000  0.63490000  0.34870500  1
  Li  Li3  1  0.50000000  0.20650200  0.50662200  1
  Li  Li4  1  0.50000000  0.15913800  0.14311000  1
  Li  Li5  1  0.50000000  0.13465100  0.84993400  1
  Mn  Mn6  1  0.00000000  0.80827000  0.81998500  1
  Mn  Mn7  1  0.00000000  0.32564500  0.68599000  1
  Fe  Fe8  1  0.00000000  0.86265600  0.49553600  1
  Fe  Fe9  1  0.00000000  0.82422500  0.18390900  1
  Fe  Fe10  1  0.00000000  0.36270300  0.99684300  1
  Fe  Fe11  1  0.00000000  0.31268500  0.31990500  1
  B  B12  1  0.50000000  0.00010000  0.33305300  1
  B  B13  1  0.00000000  0.00172200  0.00053700  1
  B  B14  1  0.50000000  0.99885000  0.66554500  1
  B  B15  1  0.50000000  0.49997300  0.83510300  1
  B  B16  1  0.00000000  0.49948200  0.49885500  1
  B  B17  1  0.50000000  0.49999900  0.16649800  1
  O  O18  1  0.50000000  0.98883500  0.56826200  1
  O  O19  1  0.50000000  0.98096600  0.23611700  1
  O  O20  1  0.50000000  0.86419300  0.39095900  1
  O  O21  1  0.50000000  0.85874200  0.71901100  1
  O  O22  1  0.00000000  0.84910700  0.04233100  1
  O  O23  1  0.50000000  0.65274800  0.87598400  1
  O  O24  1  0.50000000  0.65185300  0.20871800  1
  O  O25  1  0.00000000  0.63815500  0.55436400  1
  O  O26  1  0.00000000  0.51388300  0.40171900  1
  O  O27  1  0.50000000  0.48756500  0.06941500  1
  O  O28  1  0.50000000  0.48607000  0.73779800  1
  O  O29  1  0.50000000  0.36223400  0.89112900  1
  O  O30  1  0.50000000  0.36067600  0.22123700  1
  O  O31  1  0.00000000  0.34688600  0.53994400  1
  O  O32  1  0.50000000  0.15476700  0.37179800  1
  O  O33  1  0.50000000  0.14880800  0.70947000  1
  O  O34  1  0.00000000  0.13986100  0.05621000  1
  O  O35  1  0.00000000  0.01650500  0.90359400  1
