# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10663390
_cell_length_b   8.11164419
_cell_length_c   14.09882167
_cell_angle_alpha   89.95596901
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2Fe(BO3)3
_chemical_formula_sum   'Li6 Mn4 Fe2 B6 O18'
_cell_volume   355.28891549
_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  0.70763207  0.99245396  1
  Li  Li1  1  0.50000000  0.65934229  0.35708570  1
  Li  Li2  1  0.50000000  0.63489599  0.65067002  1
  Li  Li3  1  0.50000000  0.20471251  0.49225102  1
  Li  Li4  1  0.50000000  0.15724003  0.85690392  1
  Li  Li5  1  0.50000000  0.13451628  0.15043499  1
  Mn  Mn6  1  -0.00000000  0.86371412  0.50577186  1
  Mn  Mn7  1  0.00000000  0.36882097  0.00615725  1
  Mn  Mn8  1  -0.00000000  0.32610984  0.31509022  1
  Mn  Mn9  1  0.00000000  0.30884401  0.67999196  1
  Fe  Fe10  1  0.00000000  0.82166978  0.81710277  1
  Fe  Fe11  1  -0.00000000  0.81512575  0.17991282  1
  B  B12  1  0.50000000  0.99705846  0.66810262  1
  B  B13  1  -0.00000000  0.99974347  0.99869724  1
  B  B14  1  0.50000000  0.99826305  0.33149209  1
  B  B15  1  0.50000000  0.50349265  0.16736731  1
  B  B16  1  -0.00000000  0.49889801  0.50004140  1
  B  B17  1  0.50000000  0.50315926  0.83350520  1
  O  O18  1  0.50000000  0.98838442  0.42910599  1
  O  O19  1  0.50000000  0.98011423  0.76546772  1
  O  O20  1  0.50000000  0.85904873  0.61051051  1
  O  O21  1  0.50000000  0.85592724  0.27742607  1
  O  O22  1  -0.00000000  0.84477814  0.95732463  1
  O  O23  1  0.50000000  0.65812229  0.12643954  1
  O  O24  1  0.50000000  0.65494814  0.78884770  1
  O  O25  1  -0.00000000  0.63556044  0.44122833  1
  O  O26  1  0.00000000  0.51904820  0.59757364  1
  O  O27  1  0.50000000  0.49425714  0.93112770  1
  O  O28  1  0.50000000  0.48677190  0.26493831  1
  O  O29  1  0.50000000  0.36302212  0.11110243  1
  O  O30  1  0.50000000  0.36039835  0.78060121  1
  O  O31  1  -0.00000000  0.34199111  0.46130490  1
  O  O32  1  0.50000000  0.15197925  0.62654552  1
  O  O33  1  0.50000000  0.15007867  0.28769056  1
  O  O34  1  -0.00000000  0.13902035  0.94288166  1
  O  O35  1  -0.00000000  0.01331375  0.09685224  1
