# generated using pymatgen
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22169548
_cell_length_b   8.22169548
_cell_length_c   6.33936900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999583
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnFe(BO3)2
_chemical_formula_sum   'Li6 Mn3 Fe3 B6 O18'
_cell_volume   371.10726473
_cell_formula_units_Z   3
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  0.28220900  0.98181300  0.25292000  1
  Li  Li1  1  0.28220900  0.98181300  0.74708000  1
  Li  Li2  1  0.01818700  0.30039600  0.25292000  1
  Li  Li3  1  0.01818700  0.30039600  0.74708000  1
  Li  Li4  1  0.69960400  0.71779100  0.74708000  1
  Li  Li5  1  0.69960400  0.71779100  0.25292000  1
  Mn  Mn6  1  0.37077800  0.35811500  0.00000000  1
  Mn  Mn7  1  0.64188500  0.01266400  0.00000000  1
  Mn  Mn8  1  0.98733600  0.62922200  0.00000000  1
  Fe  Fe9  1  0.37196700  0.36212300  0.50000000  1
  Fe  Fe10  1  0.63787700  0.00984400  0.50000000  1
  Fe  Fe11  1  0.99015600  0.62803300  0.50000000  1
  B  B12  1  0.00000000  0.00000000  0.00000000  1
  B  B13  1  0.00000000  0.00000000  0.50000000  1
  B  B14  1  0.33333300  0.66666700  0.25595500  1
  B  B15  1  0.33333300  0.66666700  0.74404500  1
  B  B16  1  0.66666700  0.33333300  0.25360100  1
  B  B17  1  0.66666700  0.33333300  0.74639900  1
  O  O18  1  0.10922200  0.91331900  0.50000000  1
  O  O19  1  0.11849800  0.92408400  0.00000000  1
  O  O20  1  0.13864100  0.57977700  0.25421000  1
  O  O21  1  0.13864100  0.57977700  0.74579000  1
  O  O22  1  0.07591600  0.19441400  0.00000000  1
  O  O23  1  0.08668100  0.19590300  0.50000000  1
  O  O24  1  0.44113700  0.86135900  0.25421000  1
  O  O25  1  0.44113700  0.86135900  0.74579000  1
  O  O26  1  0.42022300  0.55886300  0.25421000  1
  O  O27  1  0.42022300  0.55886300  0.74579000  1
  O  O28  1  0.47185600  0.25053000  0.25256600  1
  O  O29  1  0.47185600  0.25053000  0.74743400  1
  O  O30  1  0.80558600  0.88150200  0.00000000  1
  O  O31  1  0.80409700  0.89077800  0.50000000  1
  O  O32  1  0.77867400  0.52814400  0.25256600  1
  O  O33  1  0.77867400  0.52814400  0.74743400  1
  O  O34  1  0.74947000  0.22132600  0.74743400  1
  O  O35  1  0.74947000  0.22132600  0.25256600  1
