# generated using pymatgen
data_Li6MnFe5(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13674100
_cell_length_b   8.25289000
_cell_length_c   14.26019736
_cell_angle_alpha   89.93796390
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6MnFe5(BO3)6
_chemical_formula_sum   'Li6 Mn1 Fe5 B6 O18'
_cell_volume   369.15605711
_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  0.50000000  0.70628200  0.99032800  1
  Li  Li1  1  0.50000000  0.65920400  0.35748700  1
  Li  Li2  1  0.50000000  0.63393000  0.65117400  1
  Li  Li3  1  0.50000000  0.20666600  0.49190800  1
  Li  Li4  1  0.50000000  0.15990800  0.85724600  1
  Li  Li5  1  0.50000000  0.13486600  0.15074900  1
  Mn  Mn6  1  0.00000000  0.80820700  0.17979900  1
  Fe  Fe7  1  0.00000000  0.86311900  0.50430000  1
  Fe  Fe8  1  0.00000000  0.82498400  0.81611000  1
  Fe  Fe9  1  0.00000000  0.36222800  0.00383700  1
  Fe  Fe10  1  0.00000000  0.32455300  0.31650700  1
  Fe  Fe11  1  0.00000000  0.31151600  0.67993600  1
  B  B12  1  0.50000000  0.00008700  0.66658900  1
  B  B13  1  0.00000000  0.00150000  0.99978100  1
  B  B14  1  0.50000000  0.00111600  0.33454600  1
  B  B15  1  0.50000000  0.49769200  0.16621600  1
  B  B16  1  0.00000000  0.50009300  0.50015800  1
  B  B17  1  0.50000000  0.50014400  0.83334000  1
  O  O18  1  0.50000000  0.98963900  0.43179700  1
  O  O19  1  0.50000000  0.98249000  0.76389100  1
  O  O20  1  0.50000000  0.86333000  0.60940300  1
  O  O21  1  0.50000000  0.86113500  0.28067000  1
  O  O22  1  0.00000000  0.84825100  0.95817000  1
  O  O23  1  0.50000000  0.65140300  0.12517100  1
  O  O24  1  0.50000000  0.65211700  0.79090600  1
  O  O25  1  0.00000000  0.63915100  0.44486600  1
  O  O26  1  0.00000000  0.51293300  0.59746400  1
  O  O27  1  0.50000000  0.48753700  0.93054700  1
  O  O28  1  0.50000000  0.48227300  0.26348500  1
  O  O29  1  0.50000000  0.36119100  0.10918700  1
  O  O30  1  0.50000000  0.36076400  0.77848400  1
  O  O31  1  0.00000000  0.34796300  0.45812500  1
  O  O32  1  0.50000000  0.15465000  0.62699700  1
  O  O33  1  0.50000000  0.15235700  0.29118300  1
  O  O34  1  0.00000000  0.13948000  0.94325600  1
  O  O35  1  0.00000000  0.01723600  0.09639200  1
