# generated using pymatgen
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31615302
_cell_length_b   8.22402755
_cell_length_c   8.82105554
_cell_angle_alpha   62.37600254
_cell_angle_beta   69.02716993
_cell_angle_gamma   90.00782015
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MnFe2(BO3)3
_chemical_formula_sum   'Li6 Mn2 Fe4 B6 O18'
_cell_volume   371.35832827
_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  0.90048200  0.28347000  0.69884800  1
  Li  Li1  1  0.40071000  0.28355200  0.69876400  1
  Li  Li2  1  0.10744500  0.01557500  0.28521200  1
  Li  Li3  1  0.60734900  0.01560400  0.28521400  1
  Li  Li4  1  0.24205500  0.69876200  0.01552000  1
  Li  Li5  1  0.74240100  0.69873700  0.01551100  1
  Mn  Mn6  1  0.50635100  0.37351100  0.98724500  1
  Mn  Mn7  1  0.00632400  0.37358300  0.98731300  1
  Fe  Fe8  1  0.81608300  0.63963300  0.36808100  1
  Fe  Fe9  1  0.68049500  0.99201200  0.63914800  1
  Fe  Fe10  1  0.31645700  0.64062900  0.36686700  1
  Fe  Fe11  1  0.18022400  0.99212200  0.63987900  1
  B  B12  1  0.99882900  0.99759600  0.00227400  1
  B  B13  1  0.49892000  0.99767700  0.00217700  1
  B  B14  1  0.08208200  0.33326100  0.33559300  1
  B  B15  1  0.58230700  0.33326000  0.33553900  1
  B  B16  1  0.41821800  0.66930400  0.66347300  1
  B  B17  1  0.91829400  0.66928300  0.66353500  1
  O  O18  1  0.59615600  0.10832200  0.80755900  1
  O  O19  1  0.09621800  0.10851500  0.80747800  1
  O  O20  1  0.02807200  0.13868400  0.44343400  1
  O  O21  1  0.52841500  0.13866200  0.44339100  1
  O  O22  1  0.94314500  0.08027000  0.11364400  1
  O  O23  1  0.44305700  0.08012500  0.11377000  1
  O  O24  1  0.03900500  0.44181000  0.42179600  1
  O  O25  1  0.53930100  0.44181700  0.42165400  1
  O  O26  1  0.17907700  0.41926000  0.14195500  1
  O  O27  1  0.67900400  0.41920000  0.14189200  1
  O  O28  1  0.36149000  0.47442000  0.77703600  1
  O  O29  1  0.86141700  0.47438800  0.77706300  1
  O  O30  1  0.95768100  0.80290900  0.08448900  1
  O  O31  1  0.45803500  0.80285100  0.08426200  1
  O  O32  1  0.37730400  0.78255600  0.74518000  1
  O  O33  1  0.87754300  0.78258600  0.74516600  1
  O  O34  1  0.51488500  0.74809300  0.46997300  1
  O  O35  1  0.01517200  0.74796200  0.47006300  1
