# generated using pymatgen
data_Li6Mn5Fe(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85441171
_cell_length_b   8.85441171
_cell_length_c   8.27575428
_cell_angle_alpha   62.23912335
_cell_angle_beta   62.23912335
_cell_angle_gamma   42.15261834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Mn5Fe(BO3)6
_chemical_formula_sum   'Li6 Mn5 Fe1 B6 O18'
_cell_volume   377.30109240
_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  0.75837800  0.25915600  0.28372300  1
  Li  Li1  1  0.25915600  0.75837800  0.28372300  1
  Li  Li2  1  0.59883800  0.10009300  0.01675600  1
  Li  Li3  1  0.10009300  0.59883800  0.01675600  1
  Li  Li4  1  0.89118300  0.39231800  0.69837000  1
  Li  Li5  1  0.39231800  0.89118300  0.69837000  1
  Mn  Mn6  1  0.82054800  0.82054800  0.37109000  1
  Mn  Mn7  1  0.32006300  0.32006300  0.37158600  1
  Mn  Mn8  1  0.99395100  0.99395100  0.64119600  1
  Mn  Mn9  1  0.18572100  0.18572100  0.98802200  1
  Mn  Mn10  1  0.68581900  0.68581900  0.98823400  1
  Fe  Fe11  1  0.49585300  0.49585300  0.63999600  1
  B  B12  1  0.41828500  0.91424000  0.33428800  1
  B  B13  1  0.91424000  0.41828500  0.33428800  1
  B  B14  1  0.58288400  0.08516000  0.66647400  1
  B  B15  1  0.08516000  0.58288400  0.66647400  1
  B  B16  1  0.00001800  0.00001800  0.00019300  1
  B  B17  1  0.49905600  0.49905600  0.99952600  1
  O  O18  1  0.53948700  0.53948700  0.11228900  1
  O  O19  1  0.03904500  0.03904500  0.11576800  1
  O  O20  1  0.95890000  0.45936400  0.14095700  1
  O  O21  1  0.45936400  0.95890000  0.14095700  1
  O  O22  1  0.90319300  0.90319300  0.07795400  1
  O  O23  1  0.40237400  0.40237400  0.07930600  1
  O  O24  1  0.32349600  0.81515000  0.44225100  1
  O  O25  1  0.81515000  0.32349600  0.44225100  1
  O  O26  1  0.97008700  0.47037300  0.41984200  1
  O  O27  1  0.47037300  0.97008700  0.41984200  1
  O  O28  1  0.62441100  0.12517400  0.47293900  1
  O  O29  1  0.12517400  0.62441100  0.47293900  1
  O  O30  1  0.55537500  0.55537500  0.80512100  1
  O  O31  1  0.05789400  0.05789400  0.80681400  1
  O  O32  1  0.48745800  0.98647200  0.77787800  1
  O  O33  1  0.98647200  0.48745800  0.77787800  1
  O  O34  1  0.63751600  0.14265100  0.74797500  1
  O  O35  1  0.14265100  0.63751600  0.74797500  1
