# generated using pymatgen
data_Li6Mn5Fe(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86578279
_cell_length_b   8.86578279
_cell_length_c   8.26034051
_cell_angle_alpha   62.26613780
_cell_angle_beta   62.26613780
_cell_angle_gamma   42.15371034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Mn5Fe(BO3)6
_chemical_formula_sum   'Li6 Mn5 Fe1 B6 O18'
_cell_volume   377.68593740
_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  0.24209300  0.74096500  0.30098200  1
  Li  Li1  1  0.74096500  0.24209300  0.30098200  1
  Li  Li2  1  0.40129700  0.90020400  0.71676900  1
  Li  Li3  1  0.90020400  0.40129700  0.71676900  1
  Li  Li4  1  0.10802700  0.60845300  0.98239700  1
  Li  Li5  1  0.60845300  0.10802700  0.98239700  1
  Mn  Mn6  1  0.17951700  0.17951700  0.01219000  1
  Mn  Mn7  1  0.50600700  0.50600700  0.62770000  1
  Mn  Mn8  1  0.00609200  0.00609200  0.62866000  1
  Mn  Mn9  1  0.81438900  0.81438900  0.35936400  1
  Mn  Mn10  1  0.31391600  0.31391600  0.35990500  1
  Fe  Fe11  1  0.68025300  0.68025300  0.00850900  1
  B  B12  1  0.58478500  0.08090800  0.66757300  1
  B  B13  1  0.08090800  0.58478500  0.66757300  1
  B  B14  1  0.41804300  0.91548200  0.33186000  1
  B  B15  1  0.91548200  0.41804300  0.33186000  1
  B  B16  1  0.99993800  0.99993800  0.00004500  1
  B  B17  1  0.50019200  0.50019200  0.00177700  1
  O  O18  1  0.46028900  0.46028900  0.19516800  1
  O  O19  1  0.96108200  0.96108200  0.19367600  1
  O  O20  1  0.03999200  0.54007000  0.55960200  1
  O  O21  1  0.54007000  0.03999200  0.55960200  1
  O  O22  1  0.09660000  0.09660000  0.88419600  1
  O  O23  1  0.59736500  0.59736500  0.88930100  1
  O  O24  1  0.67976200  0.17933000  0.58172000  1
  O  O25  1  0.17933000  0.67976200  0.58172000  1
  O  O26  1  0.02498600  0.53288900  0.86134800  1
  O  O27  1  0.53288900  0.02498600  0.86134800  1
  O  O28  1  0.37820700  0.87359000  0.21988900  1
  O  O29  1  0.87359000  0.37820700  0.21988900  1
  O  O30  1  0.44367700  0.44367700  0.92092900  1
  O  O31  1  0.94209100  0.94209100  0.92206800  1
  O  O32  1  0.51389200  0.01322800  0.25013800  1
  O  O33  1  0.01322800  0.51389200  0.25013800  1
  O  O34  1  0.36137300  0.86101500  0.52597500  1
  O  O35  1  0.86101500  0.36137300  0.52597500  1
