# generated using pymatgen
data_Li8Mn5Fe3(BO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23191400
_cell_length_b   6.04379049
_cell_length_c   16.25217848
_cell_angle_alpha   82.25366668
_cell_angle_beta   88.79368791
_cell_angle_gamma   89.19839290
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li8Mn5Fe3(BO3)8
_chemical_formula_sum   'Li8 Mn5 Fe3 B8 O24'
_cell_volume   509.06877357
_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  0.84967400  0.06275600  0.39093600  1
  Li  Li1  1  0.15064400  0.43639200  0.10974900  1
  Li  Li2  1  0.65134700  0.18868300  0.85843800  1
  Li  Li3  1  0.34959900  0.31186000  0.63971000  1
  Li  Li4  1  0.65164300  0.68720600  0.35886000  1
  Li  Li5  1  0.34952100  0.81233400  0.14180600  1
  Li  Li6  1  0.84749600  0.56312200  0.89009800  1
  Li  Li7  1  0.15119500  0.93748700  0.60842400  1
  Mn  Mn8  1  0.66815700  0.27385700  0.04094500  1
  Mn  Mn9  1  0.16634000  0.02452100  0.78992800  1
  Mn  Mn10  1  0.16645200  0.52404400  0.29074200  1
  Mn  Mn11  1  0.66708700  0.77407600  0.54094200  1
  Mn  Mn12  1  0.33277800  0.72514000  0.96045600  1
  Fe  Fe13  1  0.32783200  0.22594100  0.46131500  1
  Fe  Fe14  1  0.83844100  0.47560700  0.71051600  1
  Fe  Fe15  1  0.83665400  0.97429200  0.21088100  1
  B  B16  1  0.32917800  0.03669000  0.29797500  1
  B  B17  1  0.82879400  0.28546400  0.54776600  1
  B  B18  1  0.67064400  0.46344800  0.20217000  1
  B  B19  1  0.16956400  0.21541300  0.95166000  1
  B  B20  1  0.83041100  0.78586100  0.04925700  1
  B  B21  1  0.32841900  0.53727200  0.79660800  1
  B  B22  1  0.17046500  0.71393800  0.45199600  1
  B  B23  1  0.67034900  0.96361600  0.70209600  1
  O  O24  1  0.58991200  0.01341900  0.30851400  1
  O  O25  1  0.18530300  0.16959500  0.34623600  1
  O  O26  1  0.70778000  0.16928900  0.49193700  1
  O  O27  1  0.28581300  0.33356300  0.00820300  1
  O  O28  1  0.78560800  0.08320500  0.75842300  1
  O  O29  1  0.82083700  0.32655500  0.15659800  1
  O  O30  1  0.32056800  0.08025000  0.90549600  1
  O  O31  1  0.09098100  0.26418300  0.55811900  1
  O  O32  1  0.41084200  0.48534400  0.18843100  1
  O  O33  1  0.90984000  0.23639000  0.93797100  1
  O  O34  1  0.68406300  0.41889800  0.59657300  1
  O  O35  1  0.20786500  0.42177500  0.73948100  1
  O  O36  1  0.78634300  0.58246200  0.25848900  1
  O  O37  1  0.32077800  0.57799100  0.40633900  1
  O  O38  1  0.09034200  0.76500000  0.06261800  1
  O  O39  1  0.58871400  0.51370500  0.80835700  1
  O  O40  1  0.91014200  0.73586700  0.43832000  1
  O  O41  1  0.68026300  0.91998900  0.09586800  1
  O  O42  1  0.18091400  0.66946700  0.84418100  1
  O  O43  1  0.20608500  0.92065000  0.24154000  1
  O  O44  1  0.71479200  0.66837300  0.99209600  1
  O  O45  1  0.28713100  0.83189800  0.50853700  1
  O  O46  1  0.82142000  0.82733900  0.65649800  1
  O  O47  1  0.41097700  0.98577600  0.68789900  1
