# generated using pymatgen
data_Li6MnFe5(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28056700
_cell_length_b   8.23583000
_cell_length_c   8.24281345
_cell_angle_alpha   60.07769431
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6MnFe5(BO3)6
_chemical_formula_sum   'Li6 Mn1 Fe5 B6 O18'
_cell_volume   369.53179038
_cell_formula_units_Z   1
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  0.74950500  0.71516400  0.30205600  1
  Li  Li1  1  0.25049500  0.71516400  0.30205600  1
  Li  Li2  1  0.75059700  0.98417900  0.71410600  1
  Li  Li3  1  0.24940300  0.98417900  0.71410600  1
  Li  Li4  1  0.25071600  0.30168600  0.98378500  1
  Li  Li5  1  0.74928400  0.30168600  0.98378500  1
  Mn  Mn6  1  0.00000000  0.62677100  0.01284200  1
  Fe  Fe7  1  0.50000000  0.63304000  0.00720500  1
  Fe  Fe8  1  0.00000000  0.35923900  0.63293600  1
  Fe  Fe9  1  0.50000000  0.36005900  0.63171400  1
  Fe  Fe10  1  0.00000000  0.00793700  0.35899300  1
  Fe  Fe11  1  0.50000000  0.00801900  0.36033600  1
  B  B12  1  0.00000000  0.00209600  0.99826000  1
  B  B13  1  0.50000000  0.99985600  0.00007000  1
  B  B14  1  0.74824900  0.66657800  0.66551200  1
  B  B15  1  0.25175100  0.66657800  0.66551200  1
  B  B16  1  0.74844700  0.33209100  0.33501500  1
  B  B17  1  0.25155300  0.33209100  0.33501500  1
  O  O18  1  0.50000000  0.89063900  0.19428900  1
  O  O19  1  0.00000000  0.89068100  0.19262300  1
  O  O20  1  0.75009200  0.86076000  0.55754700  1
  O  O21  1  0.24990800  0.86076000  0.55754700  1
  O  O22  1  0.00000000  0.92040500  0.88626500  1
  O  O23  1  0.50000000  0.91503700  0.89075200  1
  O  O24  1  0.74992200  0.55823800  0.57980800  1
  O  O25  1  0.25007800  0.55823800  0.57980800  1
  O  O26  1  0.74609700  0.58079800  0.85920700  1
  O  O27  1  0.25390300  0.58079800  0.85920700  1
  O  O28  1  0.74667800  0.52669300  0.22091200  1
  O  O29  1  0.25332200  0.52669300  0.22091200  1
  O  O30  1  0.00000000  0.19651100  0.91640800  1
  O  O31  1  0.50000000  0.19416700  0.91520600  1
  O  O32  1  0.74961500  0.21840200  0.25461800  1
  O  O33  1  0.25038500  0.21840200  0.25461800  1
  O  O34  1  0.25002800  0.25318500  0.52848500  1
  O  O35  1  0.74997200  0.25318500  0.52848500  1
