# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17449400
_cell_length_b   8.26180900
_cell_length_c   14.29065134
_cell_angle_alpha   89.95532415
_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   374.80170060
_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  0.70726100  0.99042700  1
  Li  Li1  1  0.50000000  0.65891400  0.35789500  1
  Li  Li2  1  0.50000000  0.63332600  0.65109900  1
  Li  Li3  1  0.50000000  0.20724700  0.49166800  1
  Li  Li4  1  0.50000000  0.15984500  0.85779200  1
  Li  Li5  1  0.50000000  0.13430400  0.15005900  1
  Mn  Mn6  1  0.00000000  0.86482600  0.50620700  1
  Mn  Mn7  1  0.00000000  0.80729700  0.18009700  1
  Mn  Mn8  1  0.00000000  0.32665800  0.31435100  1
  Mn  Mn9  1  0.00000000  0.30855700  0.67971800  1
  Fe  Fe10  1  0.00000000  0.82428500  0.81658600  1
  Fe  Fe11  1  0.00000000  0.36343300  0.00379800  1
  B  B12  1  0.50000000  0.99833100  0.66804400  1
  B  B13  1  0.00000000  0.00178400  0.99981100  1
  B  B14  1  0.50000000  0.00012400  0.33332200  1
  B  B15  1  0.50000000  0.49921300  0.16493300  1
  B  B16  1  0.00000000  0.49999000  0.50001500  1
  B  B17  1  0.50000000  0.50101000  0.83435300  1
  O  O18  1  0.50000000  0.99001800  0.43022100  1
  O  O19  1  0.50000000  0.98237500  0.76495800  1
  O  O20  1  0.50000000  0.86087000  0.61160700  1
  O  O21  1  0.50000000  0.85969400  0.27986500  1
  O  O22  1  0.00000000  0.84896500  0.95804800  1
  O  O23  1  0.50000000  0.65284600  0.12426700  1
  O  O24  1  0.50000000  0.65279900  0.79193600  1
  O  O25  1  0.00000000  0.63563100  0.44191100  1
  O  O26  1  0.00000000  0.51907100  0.59694600  1
  O  O27  1  0.50000000  0.48828900  0.93142200  1
  O  O28  1  0.50000000  0.48542900  0.26223000  1
  O  O29  1  0.50000000  0.36210700  0.10871900  1
  O  O30  1  0.50000000  0.36200200  0.77989200  1
  O  O31  1  0.00000000  0.34517500  0.46118000  1
  O  O32  1  0.50000000  0.15116800  0.62648800  1
  O  O33  1  0.50000000  0.15033200  0.28969300  1
  O  O34  1  0.00000000  0.14024700  0.94387200  1
  O  O35  1  0.00000000  0.01657500  0.09657400  1
