# generated using pymatgen
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32669300
_cell_length_b   8.25220800
_cell_length_c   8.25655470
_cell_angle_alpha   60.09434268
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnFe(BO3)2
_chemical_formula_sum   'Li6 Mn3 Fe3 B6 O18'
_cell_volume   373.67023281
_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  0.25063300  0.98231100  0.30163400  1
  Li  Li1  1  0.74936700  0.98231100  0.30163400  1
  Li  Li2  1  0.24919000  0.30195000  0.71618900  1
  Li  Li3  1  0.75081000  0.30195000  0.71618900  1
  Li  Li4  1  0.74933000  0.71480700  0.98409100  1
  Li  Li5  1  0.25067000  0.71480700  0.98409100  1
  Mn  Mn6  1  0.00000000  0.35965700  0.01277800  1
  Mn  Mn7  1  0.00000000  0.01209600  0.62856200  1
  Mn  Mn8  1  0.50000000  0.01241700  0.62687900  1
  Fe  Fe9  1  0.50000000  0.35893000  0.00677500  1
  Fe  Fe10  1  0.00000000  0.63295600  0.35896300  1
  Fe  Fe11  1  0.50000000  0.63178400  0.35995100  1
  B  B12  1  0.00000000  0.99735900  0.00080700  1
  B  B13  1  0.50000000  0.99760400  0.00263400  1
  B  B14  1  0.25162900  0.66601100  0.66524400  1
  B  B15  1  0.74837100  0.66601100  0.66524400  1
  B  B16  1  0.25161600  0.33586400  0.33282700  1
  B  B17  1  0.74838400  0.33586400  0.33282700  1
  O  O18  1  0.50000000  0.91536600  0.19618400  1
  O  O19  1  0.00000000  0.91673200  0.19501000  1
  O  O20  1  0.25004900  0.58023200  0.55680500  1
  O  O21  1  0.74995100  0.58023200  0.55680500  1
  O  O22  1  0.00000000  0.19118700  0.88746300  1
  O  O23  1  0.50000000  0.19295100  0.89130400  1
  O  O24  1  0.24994900  0.85972400  0.57971900  1
  O  O25  1  0.75005100  0.85972400  0.57971900  1
  O  O26  1  0.25353700  0.55801600  0.85911100  1
  O  O27  1  0.74646300  0.55801600  0.85911100  1
  O  O28  1  0.25362500  0.25377600  0.22065900  1
  O  O29  1  0.74637500  0.25377600  0.22065900  1
  O  O30  1  0.00000000  0.88320300  0.92131800  1
  O  O31  1  0.50000000  0.88719600  0.91960000  1
  O  O32  1  0.25036500  0.52943000  0.25284300  1
  O  O33  1  0.74963500  0.52943000  0.25284300  1
  O  O34  1  0.74996500  0.22316000  0.52676400  1
  O  O35  1  0.25003500  0.22316000  0.52676400  1
