# generated using pymatgen
data_Li6MnFe5(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.56644100
_cell_length_b   8.24421800
_cell_length_c   8.25265559
_cell_angle_alpha   60.04498617
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6MnFe5(BO3)6
_chemical_formula_sum   'Li12 Mn2 Fe10 B12 O36'
_cell_volume   740.76901480
_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  0.00000000  0.71607700  0.30129400  1
  Li  Li1  1  0.25040400  0.71521700  0.30157000  1
  Li  Li2  1  0.50000000  0.71454900  0.30165600  1
  Li  Li3  1  0.74959600  0.71521700  0.30157000  1
  Li  Li4  1  0.00000000  0.98413300  0.71452500  1
  Li  Li5  1  0.74981500  0.98396500  0.71484700  1
  Li  Li6  1  0.50000000  0.98405000  0.71459900  1
  Li  Li7  1  0.25018500  0.98396500  0.71484700  1
  Li  Li8  1  0.74938300  0.30124700  0.98420200  1
  Li  Li9  1  0.50000000  0.30163800  0.98351100  1
  Li  Li10  1  0.00000000  0.30193500  0.98432200  1
  Li  Li11  1  0.25061700  0.30124700  0.98420200  1
  Mn  Mn12  1  0.12681200  0.62757700  0.01183800  1
  Mn  Mn13  1  0.87318800  0.62757700  0.01183800  1
  Fe  Fe14  1  0.62376300  0.63174200  0.00750900  1
  Fe  Fe15  1  0.37623700  0.63174200  0.00750900  1
  Fe  Fe16  1  0.62506200  0.36011100  0.63211500  1
  Fe  Fe17  1  0.12485500  0.35946000  0.63301900  1
  Fe  Fe18  1  0.87514500  0.35946000  0.63301900  1
  Fe  Fe19  1  0.37493800  0.36011100  0.63211500  1
  Fe  Fe20  1  0.62490100  0.00757900  0.36018700  1
  Fe  Fe21  1  0.12510900  0.00751900  0.35924400  1
  Fe  Fe22  1  0.87489100  0.00751900  0.35924400  1
  Fe  Fe23  1  0.37509900  0.00757900  0.36018700  1
  B  B24  1  0.12515600  0.00236100  0.99818000  1
  B  B25  1  0.87484400  0.00236100  0.99818000  1
  B  B26  1  0.62475500  0.99989100  0.00006200  1
  B  B27  1  0.37524500  0.99989100  0.00006200  1
  B  B28  1  0.25167700  0.66654000  0.66551300  1
  B  B29  1  0.00000000  0.66672400  0.66461300  1
  B  B30  1  0.74832300  0.66654000  0.66551300  1
  B  B31  1  0.50000000  0.66693200  0.66606300  1
  B  B32  1  0.00000000  0.33171000  0.33606100  1
  B  B33  1  0.74892200  0.33217300  0.33519400  1
  B  B34  1  0.50000000  0.33335600  0.33320600  1
  B  B35  1  0.25107800  0.33217300  0.33519400  1
  O  O36  1  0.87475800  0.89114300  0.19262400  1
  O  O37  1  0.12524200  0.89114300  0.19262400  1
  O  O38  1  0.62481600  0.89093100  0.19430700  1
  O  O39  1  0.37518400  0.89093100  0.19430700  1
  O  O40  1  0.25005900  0.86103100  0.55779600  1
  O  O41  1  0.00000000  0.86136400  0.55647700  1
  O  O42  1  0.74994100  0.86103100  0.55779600  1
  O  O43  1  0.50000000  0.86169900  0.55783700  1
  O  O44  1  0.12524400  0.92022000  0.88672300  1
  O  O45  1  0.62435900  0.91429200  0.89109800  1
  O  O46  1  0.37564100  0.91429200  0.89109800  1
  O  O47  1  0.87475600  0.92022000  0.88672300  1
  O  O48  1  0.25016200  0.55825200  0.57949400  1
  O  O49  1  0.50000000  0.55835300  0.58002900  1
  O  O50  1  0.00000000  0.55843000  0.57835400  1
  O  O51  1  0.74983800  0.55825200  0.57949400  1
  O  O52  1  0.25385600  0.58019800  0.85966900  1
  O  O53  1  0.00000000  0.58095300  0.85828900  1
  O  O54  1  0.50000000  0.58075900  0.86043300  1
  O  O55  1  0.74614400  0.58019800  0.85966900  1
  O  O56  1  0.00000000  0.52580900  0.22243100  1
  O  O57  1  0.50000000  0.52726500  0.21807400  1
  O  O58  1  0.74745700  0.52609600  0.22090300  1
  O  O59  1  0.25254300  0.52609600  0.22090300  1
  O  O60  1  0.12516500  0.19661900  0.91631900  1
  O  O61  1  0.87483500  0.19661900  0.91631900  1
  O  O62  1  0.62485000  0.19438300  0.91480400  1
  O  O63  1  0.37515000  0.19438300  0.91480400  1
  O  O64  1  0.00000000  0.21810700  0.25542600  1
  O  O65  1  0.74982100  0.21804200  0.25524000  1
  O  O66  1  0.50000000  0.21811600  0.25455200  1
  O  O67  1  0.25017900  0.21804200  0.25524000  1
  O  O68  1  0.75000900  0.25354600  0.52854800  1
  O  O69  1  0.00000000  0.25277600  0.52946200  1
  O  O70  1  0.50000000  0.25498900  0.52678600  1
  O  O71  1  0.24999100  0.25354600  0.52854800  1
