# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33997600
_cell_length_b   8.25706000
_cell_length_c   8.27033712
_cell_angle_alpha   60.12403300
_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   375.41216459
_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  0.74939900  0.71598300  0.30182100  1
  Li  Li1  1  0.25060100  0.71598300  0.30182100  1
  Li  Li2  1  0.74895000  0.98325400  0.71540500  1
  Li  Li3  1  0.25105000  0.98325400  0.71540500  1
  Li  Li4  1  0.25017900  0.30147500  0.98344400  1
  Li  Li5  1  0.74982100  0.30147500  0.98344400  1
  Mn  Mn6  1  0.00000000  0.62888700  0.01184800  1
  Mn  Mn7  1  0.50000000  0.62650100  0.01208600  1
  Mn  Mn8  1  0.00000000  0.35864000  0.62915300  1
  Mn  Mn9  1  0.00000000  0.01203600  0.35896800  1
  Fe  Fe10  1  0.50000000  0.35933400  0.63339000  1
  Fe  Fe11  1  0.50000000  0.00755500  0.36001500  1
  B  B12  1  0.00000000  0.99988100  0.99995000  1
  B  B13  1  0.50000000  0.00256000  0.99795100  1
  B  B14  1  0.74634200  0.66663800  0.66570200  1
  B  B15  1  0.25365800  0.66663800  0.66570200  1
  B  B16  1  0.74717600  0.33236200  0.33454800  1
  B  B17  1  0.25282400  0.33236200  0.33454800  1
  O  O18  1  0.50000000  0.89343000  0.19220300  1
  O  O19  1  0.00000000  0.88414600  0.19316700  1
  O  O20  1  0.74583900  0.86038500  0.55807500  1
  O  O21  1  0.25416100  0.86038500  0.55807500  1
  O  O22  1  0.00000000  0.92208100  0.88424100  1
  O  O23  1  0.50000000  0.91894400  0.88843900  1
  O  O24  1  0.74610900  0.55869000  0.58010100  1
  O  O25  1  0.25389100  0.55869000  0.58010100  1
  O  O26  1  0.74997500  0.58118800  0.85865800  1
  O  O27  1  0.25002500  0.58118800  0.85865800  1
  O  O28  1  0.74933000  0.52604300  0.22244400  1
  O  O29  1  0.25067000  0.52604300  0.22244400  1
  O  O30  1  0.00000000  0.19323600  0.92264700  1
  O  O31  1  0.50000000  0.19669500  0.91465800  1
  O  O32  1  0.74723600  0.22012900  0.25289200  1
  O  O33  1  0.25276400  0.22012900  0.25289200  1
  O  O34  1  0.25349600  0.25188900  0.52755300  1
  O  O35  1  0.74650400  0.25188900  0.52755300  1
