# generated using pymatgen
data_Li8Mn5Fe3(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07072800
_cell_length_b   9.72061059
_cell_length_c   9.82842440
_cell_angle_alpha   64.90888438
_cell_angle_beta   79.48339920
_cell_angle_gamma   78.03171014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li8Mn5Fe3(BO3)8
_chemical_formula_sum   'Li8 Mn5 Fe3 B8 O24'
_cell_volume   510.90184469
_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  0.04669700  0.46769000  0.81583400  1
  Li  Li1  1  0.04725300  0.96669500  0.31470600  1
  Li  Li2  1  0.45232700  0.03210900  0.18556900  1
  Li  Li3  1  0.54510300  0.46609000  0.31507800  1
  Li  Li4  1  0.45425200  0.53409800  0.68635600  1
  Li  Li5  1  0.54582000  0.96603900  0.81574200  1
  Li  Li6  1  0.95433200  0.03318200  0.68420100  1
  Li  Li7  1  0.95370800  0.53364000  0.18439100  1
  Mn  Mn8  1  0.31325200  0.29221300  0.62468800  1
  Mn  Mn9  1  0.81285700  0.29253100  0.12708600  1
  Mn  Mn10  1  0.68640400  0.20587700  0.87359100  1
  Mn  Mn11  1  0.68582500  0.70709600  0.37269400  1
  Mn  Mn12  1  0.81411000  0.79351700  0.62706200  1
  Fe  Fe13  1  0.18496700  0.20968500  0.37050900  1
  Fe  Fe14  1  0.31239400  0.78863700  0.12746300  1
  Fe  Fe15  1  0.18595300  0.71190600  0.87573500  1
  B  B16  1  0.33415900  0.36834900  0.03817000  1
  B  B17  1  0.16798000  0.13109300  0.96312400  1
  B  B18  1  0.16561600  0.63449400  0.46102600  1
  B  B19  1  0.33402800  0.86721900  0.53939000  1
  B  B20  1  0.66507600  0.13292200  0.46212900  1
  B  B21  1  0.83453900  0.36605000  0.53573900  1
  B  B22  1  0.83549800  0.86672600  0.03609300  1
  B  B23  1  0.66454700  0.63323300  0.96373700  1
  O  O24  1  0.17777900  0.01161600  0.10442000  1
  O  O25  1  0.01526000  0.24422900  0.56251600  1
  O  O26  1  0.01632600  0.74413500  0.06388000  1
  O  O27  1  0.16323900  0.36364100  0.15635900  1
  O  O28  1  0.17894800  0.51778400  0.60277700  1
  O  O29  1  0.51336200  0.24625900  0.06425100  1
  O  O30  1  0.16381100  0.86065500  0.65779200  1
  O  O31  1  0.34070700  0.13547100  0.84753100  1
  O  O32  1  0.33555300  0.63866400  0.34254000  1
  O  O33  1  0.48367000  0.25392000  0.43248800  1
  O  O34  1  0.32099100  0.48717900  0.89744500  1
  O  O35  1  0.32004600  0.98604700  0.39872800  1
  O  O36  1  0.67411300  0.01747700  0.60561700  1
  O  O37  1  0.67438600  0.51650400  0.10622400  1
  O  O38  1  0.51455400  0.74615600  0.56400100  1
  O  O39  1  0.66304700  0.36447900  0.65126300  1
  O  O40  1  0.66274200  0.86515300  0.15124100  1
  O  O41  1  0.84006200  0.13436300  0.34839000  1
  O  O42  1  0.48378400  0.75554900  0.93592800  1
  O  O43  1  0.82464100  0.48334500  0.39340300  1
  O  O44  1  0.83654700  0.63543000  0.84839700  1
  O  O45  1  0.98766900  0.25295700  0.93635400  1
  O  O46  1  0.98468200  0.75517800  0.43469000  1
  O  O47  1  0.82738700  0.98271100  0.89365300  1
