# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17373600
_cell_length_b   8.26508200
_cell_length_c   14.30866845
_cell_angle_alpha   89.87610777
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2Fe(BO3)3
_chemical_formula_sum   'Li6 Mn4 Fe2 B6 O18'
_cell_volume   375.33249881
_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  0.50000000  0.70707100  0.00914200  1
  Li  Li1  1  0.50000000  0.66066700  0.64111600  1
  Li  Li2  1  0.50000000  0.63435300  0.34932900  1
  Li  Li3  1  0.50000000  0.20707400  0.50761400  1
  Li  Li4  1  0.50000000  0.15908500  0.14279200  1
  Li  Li5  1  0.50000000  0.13299100  0.84916000  1
  Mn  Mn6  1  0.00000000  0.82645700  0.18602600  1
  Mn  Mn7  1  0.00000000  0.80898600  0.82043700  1
  Mn  Mn8  1  0.00000000  0.36491200  0.99446500  1
  Mn  Mn9  1  0.00000000  0.32564700  0.68606600  1
  Fe  Fe10  1  0.00000000  0.86328700  0.49565400  1
  Fe  Fe11  1  0.00000000  0.31225700  0.32052400  1
  B  B12  1  0.50000000  0.00163900  0.33443400  1
  B  B13  1  0.00000000  0.99993400  0.00006800  1
  B  B14  1  0.50000000  0.99897700  0.66549400  1
  B  B15  1  0.50000000  0.50011400  0.83314000  1
  B  B16  1  0.00000000  0.49954800  0.49894100  1
  B  B17  1  0.50000000  0.49893400  0.16773100  1
  O  O18  1  0.50000000  0.98780100  0.56849000  1
  O  O19  1  0.50000000  0.98491000  0.23741500  1
  O  O20  1  0.50000000  0.86434600  0.39134500  1
  O  O21  1  0.50000000  0.85950100  0.71968300  1
  O  O22  1  0.00000000  0.84519200  0.03904900  1
  O  O23  1  0.50000000  0.65204100  0.87487500  1
  O  O24  1  0.50000000  0.64969900  0.21024300  1
  O  O25  1  0.00000000  0.63847300  0.55448300  1
  O  O26  1  0.00000000  0.51432300  0.40191500  1
  O  O27  1  0.50000000  0.48821800  0.07079300  1
  O  O28  1  0.50000000  0.48668500  0.73606400  1
  O  O29  1  0.50000000  0.36138800  0.88841900  1
  O  O30  1  0.50000000  0.35901300  0.22199900  1
  O  O31  1  0.00000000  0.34692000  0.53990300  1
  O  O32  1  0.50000000  0.15568600  0.37350600  1
  O  O33  1  0.50000000  0.14945400  0.70863900  1
  O  O34  1  0.00000000  0.13544600  0.05791100  1
  O  O35  1  0.00000000  0.01897700  0.90313000  1
