# generated using pymatgen
data_Li3Mn2Fe(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18246500
_cell_length_b   5.22890300
_cell_length_c   10.63861809
_cell_angle_alpha   65.31799145
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2Fe(BO3)4
_chemical_formula_sum   'Li6 Mn4 Fe2 B8 O24'
_cell_volume   464.13746427
_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  0.22698100  0.49230700  0.34617600  1
  Li  Li1  1  0.23876200  0.91755700  0.88284100  1
  Li  Li2  1  0.73202400  0.50003900  0.16706800  1
  Li  Li3  1  0.76123800  0.91755700  0.38284100  1
  Li  Li4  1  0.77301900  0.49230700  0.84617600  1
  Li  Li5  1  0.26797600  0.50003900  0.66706800  1
  Mn  Mn6  1  0.55795000  0.97549700  0.88048600  1
  Mn  Mn7  1  0.07491200  0.02265700  0.62450100  1
  Mn  Mn8  1  0.44205000  0.97549700  0.38048600  1
  Mn  Mn9  1  0.92508800  0.02265700  0.12450100  1
  Fe  Fe10  1  0.73695700  0.07028700  0.61116500  1
  Fe  Fe11  1  0.26304300  0.07028700  0.11116500  1
  B  B12  1  0.55810800  0.43567500  0.39255000  1
  B  B13  1  0.90646200  0.98289100  0.86028000  1
  B  B14  1  0.06832000  0.56334100  0.11098900  1
  B  B15  1  0.40188500  0.02616100  0.63272900  1
  B  B16  1  0.09353800  0.98289100  0.36028000  1
  B  B17  1  0.44189200  0.43567500  0.89255000  1
  B  B18  1  0.59811500  0.02616100  0.13272900  1
  B  B19  1  0.93168000  0.56334100  0.61098900  1
  O  O20  1  0.60008200  0.83224700  0.07540800  1
  O  O21  1  0.90739700  0.31239300  0.59735300  1
  O  O22  1  0.18708200  0.73389100  0.10346100  1
  O  O23  1  0.27873000  0.14266000  0.65789500  1
  O  O24  1  0.93074900  0.63319000  0.13408600  1
  O  O25  1  0.53738300  0.09746000  0.67534800  1
  O  O26  1  0.42272500  0.36085000  0.36426900  1
  O  O27  1  0.03832000  0.91350800  0.81973900  1
  O  O28  1  0.77584700  0.88994900  0.82450900  1
  O  O29  1  0.67333700  0.24464000  0.41587000  1
  O  O30  1  0.10017400  0.15781700  0.42871700  1
  O  O31  1  0.41599500  0.68820700  0.89788200  1
  O  O32  1  0.09260300  0.31239300  0.09735300  1
  O  O33  1  0.39991800  0.83224700  0.57540800  1
  O  O34  1  0.72127000  0.14266000  0.15789500  1
  O  O35  1  0.46261700  0.09746000  0.17534800  1
  O  O36  1  0.81291800  0.73389100  0.60346100  1
  O  O37  1  0.06925100  0.63319000  0.63408600  1
  O  O38  1  0.96168000  0.91350800  0.31973900  1
  O  O39  1  0.22415300  0.88994900  0.32450900  1
  O  O40  1  0.57727500  0.36085000  0.86426900  1
  O  O41  1  0.32666300  0.24464000  0.91587000  1
  O  O42  1  0.58400500  0.68820700  0.39788200  1
  O  O43  1  0.89982600  0.15781700  0.92871700  1
