# generated using pymatgen
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15172700
_cell_length_b   8.25420900
_cell_length_c   14.30723992
_cell_angle_alpha   89.93600535
_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   372.20280574
_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  0.70718700  0.00904900  1
  Li  Li1  1  0.50000000  0.66098500  0.64111700  1
  Li  Li2  1  0.50000000  0.63422500  0.34947000  1
  Li  Li3  1  0.50000000  0.20655100  0.50731100  1
  Li  Li4  1  0.50000000  0.15786700  0.14308300  1
  Li  Li5  1  0.50000000  0.13228700  0.84885300  1
  Mn  Mn6  1  0.00000000  0.36679900  0.99435100  1
  Mn  Mn7  1  0.00000000  0.32562700  0.68568600  1
  Fe  Fe8  1  0.00000000  0.86336700  0.49550300  1
  Fe  Fe9  1  0.00000000  0.82414100  0.18447000  1
  Fe  Fe10  1  0.00000000  0.81309700  0.82070700  1
  Fe  Fe11  1  0.00000000  0.31240500  0.32030100  1
  B  B12  1  0.50000000  0.99998900  0.33330300  1
  B  B13  1  0.00000000  0.99859600  0.00104600  1
  B  B14  1  0.50000000  0.99775200  0.66667500  1
  B  B15  1  0.50000000  0.50237800  0.83264500  1
  B  B16  1  0.00000000  0.49960500  0.49877200  1
  B  B17  1  0.50000000  0.50101700  0.16771600  1
  O  O18  1  0.50000000  0.98647700  0.56964100  1
  O  O19  1  0.50000000  0.98148400  0.23657600  1
  O  O20  1  0.50000000  0.86379900  0.39118400  1
  O  O21  1  0.50000000  0.85822000  0.72147400  1
  O  O22  1  0.00000000  0.84605300  0.04253600  1
  O  O23  1  0.50000000  0.65513800  0.87376100  1
  O  O24  1  0.50000000  0.65234100  0.21042200  1
  O  O25  1  0.00000000  0.63853000  0.55415200  1
  O  O26  1  0.00000000  0.51392900  0.40187300  1
  O  O27  1  0.50000000  0.49014000  0.07080700  1
  O  O28  1  0.50000000  0.48735400  0.73575700  1
  O  O29  1  0.50000000  0.36314000  0.88801300  1
  O  O30  1  0.50000000  0.36050300  0.22156300  1
  O  O31  1  0.00000000  0.34668100  0.53981700  1
  O  O32  1  0.50000000  0.15458200  0.37244200  1
  O  O33  1  0.50000000  0.14858100  0.70943900  1
  O  O34  1  0.00000000  0.13671500  0.05667000  1
  O  O35  1  0.00000000  0.01246200  0.90381200  1
