# generated using pymatgen
data_Li6Mn5Fe(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.73968700
_cell_length_b   8.26485100
_cell_length_c   8.27513026
_cell_angle_alpha   60.05180296
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Mn5Fe(BO3)6
_chemical_formula_sum   'Li12 Mn10 Fe2 B12 O36'
_cell_volume   754.96309495
_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  0.98242700  0.30133900  1
  Li  Li1  1  0.24983000  0.98208500  0.30145900  1
  Li  Li2  1  0.00000000  0.98178300  0.30200500  1
  Li  Li3  1  0.75017000  0.98208500  0.30145900  1
  Li  Li4  1  0.50000000  0.30138600  0.71586300  1
  Li  Li5  1  0.75019300  0.30104700  0.71623500  1
  Li  Li6  1  0.00000000  0.30159400  0.71605300  1
  Li  Li7  1  0.24980700  0.30104700  0.71623500  1
  Li  Li8  1  0.75016700  0.71552400  0.98342800  1
  Li  Li9  1  0.00000000  0.71503200  0.98382500  1
  Li  Li10  1  0.50000000  0.71609700  0.98287800  1
  Li  Li11  1  0.24983300  0.71552400  0.98342800  1
  Mn  Mn12  1  0.37507100  0.35934600  0.01196700  1
  Mn  Mn13  1  0.87495300  0.36019000  0.01183400  1
  Mn  Mn14  1  0.62492900  0.35934600  0.01196700  1
  Mn  Mn15  1  0.12504700  0.36019000  0.01183400  1
  Mn  Mn16  1  0.87500000  0.01195400  0.62821100  1
  Mn  Mn17  1  0.37496100  0.01173300  0.62890900  1
  Mn  Mn18  1  0.62503900  0.01173300  0.62890900  1
  Mn  Mn19  1  0.12500000  0.01195400  0.62821100  1
  Mn  Mn20  1  0.37380500  0.62886600  0.35918900  1
  Mn  Mn21  1  0.62619500  0.62886600  0.35918900  1
  Fe  Fe22  1  0.87565200  0.63266700  0.35940600  1
  Fe  Fe23  1  0.12434800  0.63266700  0.35940600  1
  B  B24  1  0.37495600  0.00015000  0.99990900  1
  B  B25  1  0.62504400  0.00015000  0.99990900  1
  B  B26  1  0.87514700  0.99783900  0.00045400  1
  B  B27  1  0.12485300  0.99783900  0.00045400  1
  B  B28  1  0.24875500  0.66658400  0.66559400  1
  B  B29  1  0.50000000  0.66662300  0.66652800  1
  B  B30  1  0.75124500  0.66658400  0.66559400  1
  B  B31  1  0.00000000  0.66710300  0.66451700  1
  B  B32  1  0.50000000  0.33352800  0.33335100  1
  B  B33  1  0.75073400  0.33433800  0.33356600  1
  B  B34  1  0.00000000  0.33560800  0.33416900  1
  B  B35  1  0.24926600  0.33433800  0.33356600  1
  O  O36  1  0.62511700  0.92250200  0.19330400  1
  O  O37  1  0.37488300  0.92250200  0.19330400  1
  O  O38  1  0.87554100  0.91666200  0.19486300  1
  O  O39  1  0.12445900  0.91666200  0.19486300  1
  O  O40  1  0.24681900  0.58052500  0.55783500  1
  O  O41  1  0.50000000  0.58046800  0.55904800  1
  O  O42  1  0.75318100  0.58052500  0.55783500  1
  O  O43  1  0.00000000  0.58188600  0.55607500  1
  O  O44  1  0.37493800  0.19374800  0.88414800  1
  O  O45  1  0.87504100  0.19142000  0.88743500  1
  O  O46  1  0.12495900  0.19142000  0.88743500  1
  O  O47  1  0.62506200  0.19374800  0.88414800  1
  O  O48  1  0.25012700  0.86008500  0.57984200  1
  O  O49  1  0.00000000  0.86058200  0.57975500  1
  O  O50  1  0.50000000  0.86024000  0.58036500  1
  O  O51  1  0.74987300  0.86008500  0.57984200  1
  O  O52  1  0.24997700  0.55922300  0.85899700  1
  O  O53  1  0.50000000  0.55953000  0.86000400  1
  O  O54  1  0.00000000  0.55892100  0.85799000  1
  O  O55  1  0.75002300  0.55922300  0.85899700  1
  O  O56  1  0.50000000  0.25061500  0.22234600  1
  O  O57  1  0.00000000  0.25329100  0.22208200  1
  O  O58  1  0.75011100  0.25158600  0.22219900  1
  O  O59  1  0.24988900  0.25158600  0.22219900  1
  O  O60  1  0.37489600  0.88428900  0.92212100  1
  O  O61  1  0.62510400  0.88428900  0.92212100  1
  O  O62  1  0.87507500  0.88383300  0.92106100  1
  O  O63  1  0.12492500  0.88383300  0.92106100  1
  O  O64  1  0.50000000  0.52726800  0.25075800  1
  O  O65  1  0.75145700  0.52779100  0.25210000  1
  O  O66  1  0.00000000  0.52885500  0.25385700  1
  O  O67  1  0.24854300  0.52779100  0.25210000  1
  O  O68  1  0.75023500  0.22230000  0.52718200  1
  O  O69  1  0.50000000  0.22240100  0.52695200  1
  O  O70  1  0.00000000  0.22218300  0.52774000  1
  O  O71  1  0.24976500  0.22230000  0.52718200  1
