# generated using pymatgen
data_Li6MnFe5(BO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.54398300
_cell_length_b   8.25536000
_cell_length_c   8.25559546
_cell_angle_alpha   60.03742366
_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   740.65193178
_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  0.12596600  0.98359500  0.30147100  1
  Li  Li1  1  0.87403400  0.98359500  0.30147100  1
  Li  Li2  1  0.62486300  0.98341000  0.30204700  1
  Li  Li3  1  0.37513700  0.98341000  0.30204700  1
  Li  Li4  1  0.12543200  0.30131800  0.71541200  1
  Li  Li5  1  0.37515200  0.30216200  0.71431100  1
  Li  Li6  1  0.62484800  0.30216200  0.71431100  1
  Li  Li7  1  0.87456800  0.30131800  0.71541200  1
  Li  Li8  1  0.37500600  0.71456700  0.98384700  1
  Li  Li9  1  0.62499400  0.71456700  0.98384700  1
  Li  Li10  1  0.12557600  0.71414800  0.98425900  1
  Li  Li11  1  0.87442400  0.71414800  0.98425900  1
  Mn  Mn12  1  0.00000000  0.35944700  0.01215000  1
  Mn  Mn13  1  0.00000000  0.01197200  0.62885500  1
  Fe  Fe14  1  0.50000000  0.36024900  0.00770600  1
  Fe  Fe15  1  0.25143300  0.36079800  0.00759400  1
  Fe  Fe16  1  0.74856700  0.36079800  0.00759400  1
  Fe  Fe17  1  0.50000000  0.00771000  0.63250000  1
  Fe  Fe18  1  0.25136300  0.00779200  0.63164800  1
  Fe  Fe19  1  0.74863700  0.00779200  0.63164800  1
  Fe  Fe20  1  0.50000000  0.63258100  0.35961800  1
  Fe  Fe21  1  0.00000000  0.63448600  0.35817000  1
  Fe  Fe22  1  0.24975800  0.63232800  0.35978300  1
  Fe  Fe23  1  0.75024200  0.63232800  0.35978300  1
  B  B24  1  0.00000000  0.99780700  0.00059000  1
  B  B25  1  0.25050400  0.99993000  0.00012600  1
  B  B26  1  0.50000000  0.00015500  0.99997000  1
  B  B27  1  0.74949600  0.99993000  0.00012600  1
  B  B28  1  0.87225500  0.66663100  0.66545600  1
  B  B29  1  0.12774500  0.66663100  0.66545600  1
  B  B30  1  0.37582900  0.66658500  0.66647200  1
  B  B31  1  0.62417100  0.66658500  0.66647200  1
  B  B32  1  0.12677100  0.33403000  0.33397900  1
  B  B33  1  0.37519500  0.33346700  0.33320100  1
  B  B34  1  0.62480500  0.33346700  0.33320100  1
  B  B35  1  0.87322900  0.33403000  0.33397900  1
  O  O36  1  0.25059800  0.91482100  0.19440800  1
  O  O37  1  0.00000000  0.91766900  0.19529300  1
  O  O38  1  0.50000000  0.91507000  0.19444900  1
  O  O39  1  0.74940200  0.91482100  0.19440800  1
  O  O40  1  0.87486000  0.58024900  0.55764600  1
  O  O41  1  0.12514000  0.58024900  0.55764600  1
  O  O42  1  0.37508600  0.58081000  0.55796500  1
  O  O43  1  0.62491400  0.58081000  0.55796500  1
  O  O44  1  0.00000000  0.19145700  0.88663700  1
  O  O45  1  0.50000000  0.19434900  0.89080900  1
  O  O46  1  0.74911800  0.19431000  0.89092000  1
  O  O47  1  0.25088200  0.19431000  0.89092000  1
  O  O48  1  0.87168300  0.86064200  0.57947900  1
  O  O49  1  0.62388500  0.86082000  0.58077000  1
  O  O50  1  0.12831700  0.86064200  0.57947900  1
  O  O51  1  0.37611500  0.86082000  0.58077000  1
  O  O52  1  0.87191900  0.55890700  0.85960100  1
  O  O53  1  0.12808100  0.55890700  0.85960100  1
  O  O54  1  0.62397500  0.55848000  0.86081300  1
  O  O55  1  0.37602500  0.55848000  0.86081300  1
  O  O56  1  0.12721500  0.25339300  0.22037400  1
  O  O57  1  0.62458900  0.25460600  0.21795200  1
  O  O58  1  0.37541100  0.25460600  0.21795200  1
  O  O59  1  0.87278500  0.25339300  0.22037400  1
  O  O60  1  0.00000000  0.88285400  0.92210100  1
  O  O61  1  0.25071500  0.89067400  0.91491600  1
  O  O62  1  0.50000000  0.89076000  0.91510500  1
  O  O63  1  0.74928500  0.89067400  0.91491600  1
  O  O64  1  0.12493100  0.52770500  0.25403200  1
  O  O65  1  0.37474600  0.52720300  0.25468200  1
  O  O66  1  0.62525400  0.52720300  0.25468200  1
  O  O67  1  0.87506900  0.52770500  0.25403200  1
  O  O68  1  0.37552100  0.21819200  0.52711800  1
  O  O69  1  0.12710700  0.22014500  0.52774100  1
  O  O70  1  0.62447900  0.21819200  0.52711800  1
  O  O71  1  0.87289300  0.22014500  0.52774100  1
