# generated using pymatgen
data_Li6MnFe5(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81545089
_cell_length_b   8.81545089
_cell_length_c   8.24492795
_cell_angle_alpha   62.23677400
_cell_angle_beta   62.23677400
_cell_angle_gamma   41.70974615
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6MnFe5(BO3)6
_chemical_formula_sum   'Li6 Mn1 Fe5 B6 O18'
_cell_volume   369.57409765
_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  0.75784800  0.25817200  0.28567100  1
  Li  Li1  1  0.25817200  0.75784800  0.28567100  1
  Li  Li2  1  0.59863200  0.09944400  0.01631400  1
  Li  Li3  1  0.09944400  0.59863200  0.01631400  1
  Li  Li4  1  0.89323300  0.39143000  0.69805200  1
  Li  Li5  1  0.39143000  0.89323300  0.69805200  1
  Mn  Mn6  1  0.68645200  0.68645200  0.98702600  1
  Fe  Fe7  1  0.81991100  0.81991100  0.36789700  1
  Fe  Fe8  1  0.32025800  0.32025800  0.36750600  1
  Fe  Fe9  1  0.49641000  0.49641000  0.64075500  1
  Fe  Fe10  1  0.99582300  0.99582300  0.63963400  1
  Fe  Fe11  1  0.18390700  0.18390700  0.99228100  1
  B  B12  1  0.41494000  0.91847100  0.33430200  1
  B  B13  1  0.91847100  0.41494000  0.33430200  1
  B  B14  1  0.58238600  0.08537100  0.66498500  1
  B  B15  1  0.08537100  0.58238600  0.66498500  1
  B  B16  1  0.99989000  0.99989000  0.00002300  1
  B  B17  1  0.49892900  0.49892900  0.00208400  1
  O  O18  1  0.53979800  0.53979800  0.11376000  1
  O  O19  1  0.04264600  0.04264600  0.10903000  1
  O  O20  1  0.96311600  0.45574900  0.14105100  1
  O  O21  1  0.45574900  0.96311600  0.14105100  1
  O  O22  1  0.90281200  0.90281200  0.08500400  1
  O  O23  1  0.40187400  0.40187400  0.08399800  1
  O  O24  1  0.31966100  0.81958500  0.44252800  1
  O  O25  1  0.81958500  0.31966100  0.44252800  1
  O  O26  1  0.97102700  0.47072900  0.42023000  1
  O  O27  1  0.47072900  0.97102700  0.42023000  1
  O  O28  1  0.62397000  0.12283600  0.47159900  1
  O  O29  1  0.12283600  0.62397000  0.47159900  1
  O  O30  1  0.55456500  0.55456500  0.80776500  1
  O  O31  1  0.05429500  0.05429500  0.80616600  1
  O  O32  1  0.48351900  0.99050600  0.77864100  1
  O  O33  1  0.99050600  0.48351900  0.77864100  1
  O  O34  1  0.64049400  0.14131400  0.74516200  1
  O  O35  1  0.14131400  0.64049400  0.74516200  1
