# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17341800
_cell_length_b   8.27087400
_cell_length_c   14.32463868
_cell_angle_alpha   89.83599972
_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   375.97639791
_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  0.70769200  0.00749600  1
  Li  Li1  1  0.50000000  0.66161500  0.64145400  1
  Li  Li2  1  0.50000000  0.63491200  0.35012700  1
  Li  Li3  1  0.50000000  0.20713500  0.50920500  1
  Li  Li4  1  0.50000000  0.15829800  0.14210200  1
  Li  Li5  1  0.50000000  0.13200200  0.84851700  1
  Mn  Mn6  1  0.00000000  0.82582100  0.18609200  1
  Mn  Mn7  1  0.00000000  0.36616200  0.99404900  1
  Mn  Mn8  1  0.00000000  0.32619000  0.68572300  1
  Mn  Mn9  1  0.00000000  0.30865200  0.32047000  1
  Fe  Fe10  1  0.00000000  0.86285100  0.49632800  1
  Fe  Fe11  1  0.00000000  0.81269100  0.82051700  1
  B  B12  1  0.50000000  0.99944800  0.33511200  1
  B  B13  1  0.00000000  0.99803800  0.99951800  1
  B  B14  1  0.50000000  0.99792600  0.66669600  1
  B  B15  1  0.50000000  0.50218400  0.83263700  1
  B  B16  1  0.00000000  0.50150500  0.49921600  1
  B  B17  1  0.50000000  0.49986100  0.16669000  1
  O  O18  1  0.50000000  0.98531100  0.56973300  1
  O  O19  1  0.50000000  0.98481500  0.23803900  1
  O  O20  1  0.50000000  0.86256100  0.39175300  1
  O  O21  1  0.50000000  0.85930500  0.72209700  1
  O  O22  1  0.00000000  0.84468100  0.03964700  1
  O  O23  1  0.50000000  0.65498300  0.87287600  1
  O  O24  1  0.50000000  0.64969900  0.21026200  1
  O  O25  1  0.00000000  0.63906800  0.55554900  1
  O  O26  1  0.00000000  0.51852700  0.40256800  1
  O  O27  1  0.50000000  0.49043700  0.06975100  1
  O  O28  1  0.50000000  0.48625000  0.73575000  1
  O  O29  1  0.50000000  0.36339200  0.88849600  1
  O  O30  1  0.50000000  0.35904200  0.21979800  1
  O  O31  1  0.00000000  0.34784700  0.53965300  1
  O  O32  1  0.50000000  0.15268600  0.37531300  1
  O  O33  1  0.50000000  0.14943800  0.70841500  1
  O  O34  1  0.00000000  0.13513600  0.05601000  1
  O  O35  1  0.00000000  0.01384200  0.90234400  1
