# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16968200
_cell_length_b   8.25024300
_cell_length_c   14.31506263
_cell_angle_alpha   89.95389941
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2Fe(BO3)3
_chemical_formula_sum   'Li6 Mn4 Fe2 B6 O18'
_cell_volume   374.34802472
_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  0.70704600  0.98999800  1
  Li  Li1  1  0.50000000  0.65929900  0.35854300  1
  Li  Li2  1  0.50000000  0.63317100  0.65148800  1
  Li  Li3  1  0.50000000  0.20695400  0.49294400  1
  Li  Li4  1  0.50000000  0.15863800  0.85681600  1
  Li  Li5  1  0.50000000  0.13287800  0.15030800  1
  Mn  Mn6  1  0.00000000  0.86589500  0.50658100  1
  Mn  Mn7  1  0.00000000  0.80843100  0.17971600  1
  Mn  Mn8  1  0.00000000  0.36553800  0.00535600  1
  Mn  Mn9  1  0.00000000  0.32620700  0.31456500  1
  Fe  Fe10  1  0.00000000  0.82469600  0.81661800  1
  Fe  Fe11  1  0.00000000  0.31278000  0.67943100  1
  B  B12  1  0.50000000  0.00054900  0.66830800  1
  B  B13  1  0.00000000  0.00056200  0.99886000  1
  B  B14  1  0.50000000  0.00005100  0.33347900  1
  B  B15  1  0.50000000  0.50005600  0.16641100  1
  B  B16  1  0.00000000  0.49847100  0.50028500  1
  B  B17  1  0.50000000  0.50096100  0.83214600  1
  O  O18  1  0.50000000  0.99014100  0.43014100  1
  O  O19  1  0.50000000  0.98170000  0.76480500  1
  O  O20  1  0.50000000  0.86285500  0.61115700  1
  O  O21  1  0.50000000  0.85944200  0.27997800  1
  O  O22  1  0.00000000  0.84626000  0.95843000  1
  O  O23  1  0.50000000  0.65263200  0.12458400  1
  O  O24  1  0.50000000  0.65320300  0.79049200  1
  O  O25  1  0.00000000  0.63558900  0.44353600  1
  O  O26  1  0.00000000  0.51462500  0.59748900  1
  O  O27  1  0.50000000  0.48861600  0.92911800  1
  O  O28  1  0.50000000  0.48661500  0.26335700  1
  O  O29  1  0.50000000  0.36142900  0.11111700  1
  O  O30  1  0.50000000  0.36162100  0.77763100  1
  O  O31  1  0.00000000  0.34452800  0.46061900  1
  O  O32  1  0.50000000  0.15435100  0.62828300  1
  O  O33  1  0.50000000  0.15028300  0.28969000  1
  O  O34  1  0.00000000  0.13690500  0.94192700  1
  O  O35  1  0.00000000  0.01702100  0.09579500  1
