# generated using pymatgen
data_Li6Mn5Fe(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85269720
_cell_length_b   8.85269720
_cell_length_c   8.27335546
_cell_angle_alpha   62.25567999
_cell_angle_beta   62.25567999
_cell_angle_gamma   42.18803021
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Mn5Fe(BO3)6
_chemical_formula_sum   'Li6 Mn5 Fe1 B6 O18'
_cell_volume   377.35684380
_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  0.24041500  0.74137300  0.30159900  1
  Li  Li1  1  0.74137300  0.24041500  0.30159900  1
  Li  Li2  1  0.40085100  0.90029600  0.71641800  1
  Li  Li3  1  0.90029600  0.40085100  0.71641800  1
  Li  Li4  1  0.10745300  0.60840400  0.98311300  1
  Li  Li5  1  0.60840400  0.10745300  0.98311300  1
  Mn  Mn6  1  0.17999800  0.17999800  0.01199300  1
  Mn  Mn7  1  0.67964400  0.67964400  0.01220900  1
  Mn  Mn8  1  0.50589600  0.50589600  0.62902600  1
  Mn  Mn9  1  0.00626100  0.00626100  0.62778300  1
  Mn  Mn10  1  0.31446400  0.31446400  0.35877100  1
  Fe  Fe11  1  0.81580400  0.81580400  0.36027500  1
  B  B12  1  0.58522600  0.08153400  0.66577200  1
  B  B13  1  0.08153400  0.58522600  0.66577200  1
  B  B14  1  0.41838900  0.91621300  0.33349500  1
  B  B15  1  0.91621300  0.41838900  0.33349500  1
  B  B16  1  0.99891700  0.99891700  0.00020800  1
  B  B17  1  0.49998800  0.49998800  0.00003100  1
  O  O18  1  0.46130600  0.46130600  0.19338100  1
  O  O19  1  0.95812800  0.95812800  0.19457100  1
  O  O20  1  0.03634500  0.54440300  0.55787800  1
  O  O21  1  0.54440300  0.03634500  0.55787800  1
  O  O22  1  0.09582600  0.09582600  0.88710100  1
  O  O23  1  0.59679600  0.59679600  0.88426000  1
  O  O24  1  0.68004000  0.18029300  0.58012000  1
  O  O25  1  0.18029300  0.68004000  0.58012000  1
  O  O26  1  0.02959300  0.52961100  0.85918900  1
  O  O27  1  0.52961100  0.02959300  0.85918900  1
  O  O28  1  0.37525000  0.87623900  0.22235800  1
  O  O29  1  0.87623900  0.37525000  0.22235800  1
  O  O30  1  0.44195500  0.44195500  0.92237700  1
  O  O31  1  0.94202200  0.94202200  0.92054600  1
  O  O32  1  0.51652200  0.01175100  0.25168700  1
  O  O33  1  0.01175100  0.51652200  0.25168700  1
  O  O34  1  0.36164800  0.86116300  0.52710300  1
  O  O35  1  0.86116300  0.36164800  0.52710300  1
