# generated using pymatgen
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15151300
_cell_length_b   8.25501900
_cell_length_c   14.31610330
_cell_angle_alpha   89.91092320
_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   372.44442577
_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  0.70640400  0.99055500  1
  Li  Li1  1  0.50000000  0.65971500  0.35837200  1
  Li  Li2  1  0.50000000  0.63409500  0.65053800  1
  Li  Li3  1  0.50000000  0.20702200  0.49205800  1
  Li  Li4  1  0.50000000  0.15813500  0.85640600  1
  Li  Li5  1  0.50000000  0.13319300  0.15123000  1
  Mn  Mn6  1  0.00000000  0.80842500  0.18000900  1
  Mn  Mn7  1  0.00000000  0.36536000  0.00539100  1
  Fe  Fe8  1  0.00000000  0.86430700  0.50453900  1
  Fe  Fe9  1  0.00000000  0.82496700  0.81671700  1
  Fe  Fe10  1  0.00000000  0.32443600  0.31704200  1
  Fe  Fe11  1  0.00000000  0.31139900  0.67984400  1
  B  B12  1  0.50000000  0.99986900  0.66630800  1
  B  B13  1  0.00000000  0.00019500  0.99890800  1
  B  B14  1  0.50000000  0.00111900  0.33451200  1
  B  B15  1  0.50000000  0.49811300  0.16772900  1
  B  B16  1  0.00000000  0.50022900  0.50025900  1
  B  B17  1  0.50000000  0.50099200  0.83197000  1
  O  O18  1  0.50000000  0.98919500  0.43138100  1
  O  O19  1  0.50000000  0.98136800  0.76325100  1
  O  O20  1  0.50000000  0.86367000  0.60869100  1
  O  O21  1  0.50000000  0.86148900  0.28040400  1
  O  O22  1  0.00000000  0.84646300  0.95864200  1
  O  O23  1  0.50000000  0.65112400  0.12587600  1
  O  O24  1  0.50000000  0.65277400  0.78946100  1
  O  O25  1  0.00000000  0.64002900  0.44561000  1
  O  O26  1  0.00000000  0.51206700  0.59722500  1
  O  O27  1  0.50000000  0.48956100  0.92882800  1
  O  O28  1  0.50000000  0.48299100  0.26456800  1
  O  O29  1  0.50000000  0.36075600  0.11158200  1
  O  O30  1  0.50000000  0.36090200  0.77792200  1
  O  O31  1  0.00000000  0.34851000  0.45787300  1
  O  O32  1  0.50000000  0.15479500  0.62709700  1
  O  O33  1  0.50000000  0.15275100  0.29148300  1
  O  O34  1  0.00000000  0.13674500  0.94185500  1
  O  O35  1  0.00000000  0.01683200  0.09586300  1
