# generated using pymatgen
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15082500
_cell_length_b   8.25993000
_cell_length_c   14.28893849
_cell_angle_alpha   89.98496726
_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   371.87809825
_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  0.70820400  0.99117000  1
  Li  Li1  1  0.50000000  0.66001600  0.35762800  1
  Li  Li2  1  0.50000000  0.63527300  0.65082800  1
  Li  Li3  1  0.50000000  0.20600400  0.49149400  1
  Li  Li4  1  0.50000000  0.15903400  0.85817300  1
  Li  Li5  1  0.50000000  0.13342200  0.15039700  1
  Mn  Mn6  1  0.00000000  0.32583500  0.31400700  1
  Mn  Mn7  1  0.00000000  0.30855100  0.68005200  1
  Fe  Fe8  1  0.00000000  0.86095100  0.50371900  1
  Fe  Fe9  1  0.00000000  0.82387700  0.81515400  1
  Fe  Fe10  1  0.00000000  0.81120000  0.18012700  1
  Fe  Fe11  1  0.00000000  0.36426400  0.00407300  1
  B  B12  1  0.50000000  0.99764300  0.66674900  1
  B  B13  1  0.00000000  0.00037900  0.00010300  1
  B  B14  1  0.50000000  0.99778000  0.33310400  1
  B  B15  1  0.50000000  0.50226000  0.16540000  1
  B  B16  1  0.00000000  0.50106400  0.50061100  1
  B  B17  1  0.50000000  0.50115800  0.83478600  1
  O  O18  1  0.50000000  0.98637100  0.43033600  1
  O  O19  1  0.50000000  0.98108100  0.76378700  1
  O  O20  1  0.50000000  0.86174300  0.60917500  1
  O  O21  1  0.50000000  0.85831800  0.27862200  1
  O  O22  1  0.00000000  0.84888900  0.95742700  1
  O  O23  1  0.50000000  0.65625200  0.12587400  1
  O  O24  1  0.50000000  0.65245800  0.79155800  1
  O  O25  1  0.00000000  0.63820700  0.44376900  1
  O  O26  1  0.00000000  0.51840800  0.59743300  1
  O  O27  1  0.50000000  0.48989400  0.93194200  1
  O  O28  1  0.50000000  0.48587000  0.26262000  1
  O  O29  1  0.50000000  0.36450100  0.10901500  1
  O  O30  1  0.50000000  0.36140100  0.78091200  1
  O  O31  1  0.00000000  0.34707600  0.46054500  1
  O  O32  1  0.50000000  0.15127300  0.62636800  1
  O  O33  1  0.50000000  0.14862400  0.29026000  1
  O  O34  1  0.00000000  0.14025700  0.94546000  1
  O  O35  1  0.00000000  0.01245900  0.09732700  1
