# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17140800
_cell_length_b   8.27475800
_cell_length_c   14.30438183
_cell_angle_alpha   89.96394676
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2Fe(BO3)3
_chemical_formula_sum   'Li6 Mn4 Fe2 B6 O18'
_cell_volume   375.38457868
_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  0.70774600  0.99011300  1
  Li  Li1  1  0.50000000  0.66071100  0.35884200  1
  Li  Li2  1  0.50000000  0.63515000  0.65038800  1
  Li  Li3  1  0.50000000  0.20691200  0.49193200  1
  Li  Li4  1  0.50000000  0.15770800  0.85672300  1
  Li  Li5  1  0.50000000  0.13283100  0.15078600  1
  Mn  Mn6  1  0.00000000  0.80842900  0.17987400  1
  Mn  Mn7  1  0.00000000  0.36568900  0.00547000  1
  Mn  Mn8  1  0.00000000  0.32593400  0.31461700  1
  Mn  Mn9  1  0.00000000  0.30798600  0.67995400  1
  Fe  Fe10  1  0.00000000  0.86235300  0.50434100  1
  Fe  Fe11  1  0.00000000  0.82430600  0.81619100  1
  B  B12  1  0.50000000  0.99733800  0.66623800  1
  B  B13  1  0.00000000  0.00073100  0.99880000  1
  B  B14  1  0.50000000  0.99904000  0.33451900  1
  B  B15  1  0.50000000  0.50004000  0.16670400  1
  B  B16  1  0.00000000  0.50129800  0.50089100  1
  B  B17  1  0.50000000  0.50207200  0.83333400  1
  O  O18  1  0.50000000  0.98766100  0.43145900  1
  O  O19  1  0.50000000  0.98022100  0.76317700  1
  O  O20  1  0.50000000  0.86211900  0.60852100  1
  O  O21  1  0.50000000  0.85985300  0.28014500  1
  O  O22  1  0.00000000  0.84717500  0.95823800  1
  O  O23  1  0.50000000  0.65223200  0.12494100  1
  O  O24  1  0.50000000  0.65312000  0.79047900  1
  O  O25  1  0.00000000  0.63899800  0.44418100  1
  O  O26  1  0.00000000  0.51847600  0.59754300  1
  O  O27  1  0.50000000  0.49079900  0.93022500  1
  O  O28  1  0.50000000  0.48644500  0.26382100  1
  O  O29  1  0.50000000  0.36156100  0.11160500  1
  O  O30  1  0.50000000  0.36206400  0.77980600  1
  O  O31  1  0.00000000  0.34780700  0.46075600  1
  O  O32  1  0.50000000  0.15149500  0.62636300  1
  O  O33  1  0.50000000  0.14955500  0.29130600  1
  O  O34  1  0.00000000  0.13703300  0.94185700  1
  O  O35  1  0.00000000  0.01711100  0.09586000  1
