# generated using pymatgen
data_Li2MnFe(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31255700
_cell_length_b   8.26073100
_cell_length_c   8.26888446
_cell_angle_alpha   60.03978293
_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   373.57285228
_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  0.25019800  0.98276900  0.30193300  1
  Li  Li1  1  0.74980200  0.98276900  0.30193300  1
  Li  Li2  1  0.25086800  0.30178900  0.71525000  1
  Li  Li3  1  0.74913200  0.30178900  0.71525000  1
  Li  Li4  1  0.75006500  0.71515900  0.98316900  1
  Li  Li5  1  0.24993500  0.71515900  0.98316900  1
  Mn  Mn6  1  0.50000000  0.36055500  0.01270400  1
  Mn  Mn7  1  0.00000000  0.01265100  0.62820900  1
  Mn  Mn8  1  0.00000000  0.62813300  0.35945200  1
  Fe  Fe9  1  0.00000000  0.35928400  0.00724000  1
  Fe  Fe10  1  0.50000000  0.00731000  0.63274600  1
  Fe  Fe11  1  0.50000000  0.63248200  0.36000200  1
  B  B12  1  0.00000000  0.00008300  0.00265900  1
  B  B13  1  0.50000000  0.99975700  0.99745200  1
  B  B14  1  0.25192500  0.66666200  0.66660600  1
  B  B15  1  0.74807500  0.66666200  0.66660600  1
  B  B16  1  0.25145800  0.33339500  0.33328300  1
  B  B17  1  0.74854200  0.33339500  0.33328300  1
  O  O18  1  0.50000000  0.91486700  0.19198200  1
  O  O19  1  0.00000000  0.92106100  0.19552300  1
  O  O20  1  0.25449700  0.58064000  0.55896000  1
  O  O21  1  0.74550300  0.58064000  0.55896000  1
  O  O22  1  0.00000000  0.19507300  0.88893400  1
  O  O23  1  0.50000000  0.19279500  0.88737800  1
  O  O24  1  0.25376800  0.86039000  0.58079500  1
  O  O25  1  0.74623200  0.86039000  0.58079500  1
  O  O26  1  0.24601500  0.55902400  0.86012600  1
  O  O27  1  0.75398500  0.55902400  0.86012600  1
  O  O28  1  0.24801100  0.25246100  0.22046700  1
  O  O29  1  0.75198900  0.25246100  0.22046700  1
  O  O30  1  0.00000000  0.88756700  0.92164900  1
  O  O31  1  0.50000000  0.88823500  0.91437900  1
  O  O32  1  0.25228400  0.52712800  0.25242500  1
  O  O33  1  0.74771600  0.52712800  0.25242500  1
  O  O34  1  0.74680400  0.22065900  0.52682700  1
  O  O35  1  0.25319600  0.22065900  0.52682700  1
