# generated using pymatgen
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28781600
_cell_length_b   8.26199900
_cell_length_c   8.26740769
_cell_angle_alpha   60.03060340
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MnFe2(BO3)3
_chemical_formula_sum   'Li6 Mn2 Fe4 B6 O18'
_cell_volume   372.06497951
_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  0.74964100  0.71556400  0.30163100  1
  Li  Li1  1  0.25035900  0.71556400  0.30163100  1
  Li  Li2  1  0.74902700  0.98317600  0.71511100  1
  Li  Li3  1  0.25097300  0.98317600  0.71511100  1
  Li  Li4  1  0.24876500  0.30143600  0.98420000  1
  Li  Li5  1  0.75123500  0.30143600  0.98420000  1
  Mn  Mn6  1  0.50000000  0.62663600  0.01227000  1
  Mn  Mn7  1  0.00000000  0.36038600  0.62711200  1
  Fe  Fe8  1  0.00000000  0.63416900  0.00673300  1
  Fe  Fe9  1  0.50000000  0.35885200  0.63420900  1
  Fe  Fe10  1  0.00000000  0.00795900  0.36007900  1
  Fe  Fe11  1  0.50000000  0.00813000  0.35933300  1
  B  B12  1  0.00000000  0.99945100  0.00348400  1
  B  B13  1  0.50000000  0.00167700  0.99838300  1
  B  B14  1  0.74996900  0.66776100  0.66507200  1
  B  B15  1  0.25003100  0.66776100  0.66507200  1
  B  B16  1  0.74996700  0.33189000  0.33387800  1
  B  B17  1  0.25003300  0.33189000  0.33387800  1
  O  O18  1  0.50000000  0.89246900  0.19211300  1
  O  O19  1  0.00000000  0.88839800  0.19696900  1
  O  O20  1  0.74975400  0.86192200  0.55745000  1
  O  O21  1  0.25024600  0.86192200  0.55745000  1
  O  O22  1  0.00000000  0.91492800  0.89253800  1
  O  O23  1  0.50000000  0.91936100  0.88761100  1
  O  O24  1  0.74585900  0.56005700  0.57924300  1
  O  O25  1  0.25414100  0.56005700  0.57924300  1
  O  O26  1  0.75428600  0.58163300  0.85871400  1
  O  O27  1  0.24571400  0.58163300  0.85871400  1
  O  O28  1  0.75282600  0.52578000  0.22063000  1
  O  O29  1  0.24717400  0.52578000  0.22063000  1
  O  O30  1  0.00000000  0.19249000  0.92019700  1
  O  O31  1  0.50000000  0.19664400  0.91508600  1
  O  O32  1  0.75029500  0.21808200  0.25384200  1
  O  O33  1  0.24970500  0.21808200  0.25384200  1
  O  O34  1  0.25321700  0.25192500  0.52717100  1
  O  O35  1  0.74678300  0.25192500  0.52717100  1
