# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34369601
_cell_length_b   8.84984675
_cell_length_c   8.24126517
_cell_angle_alpha   62.31125589
_cell_angle_beta   89.99405296
_cell_angle_gamma   68.99470810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn2Fe(BO3)3
_chemical_formula_sum   'Li6 Mn4 Fe2 B6 O18'
_cell_volume   374.62865157
_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  0.59957900  0.30089300  0.98282000  1
  Li  Li1  1  0.09955000  0.30088200  0.98281700  1
  Li  Li2  1  0.39153600  0.71689300  0.30059600  1
  Li  Li3  1  0.89153800  0.71691800  0.30056300  1
  Li  Li4  1  0.25759700  0.98483200  0.71461700  1
  Li  Li5  1  0.75759600  0.98482100  0.71461900  1
  Mn  Mn6  1  0.49410700  0.01185800  0.36054500  1
  Mn  Mn7  1  0.18571800  0.62838900  0.01156000  1
  Mn  Mn8  1  0.99411400  0.01182100  0.36057600  1
  Mn  Mn9  1  0.68576300  0.62841500  0.01151600  1
  Fe  Fe10  1  0.32020500  0.35944300  0.63334100  1
  Fe  Fe11  1  0.82018000  0.35947300  0.63331700  1
  B  B12  1  0.99985700  0.00029800  0.99753000  1
  B  B13  1  0.49988600  0.00027500  0.99754100  1
  B  B14  1  0.41790500  0.66422800  0.66673000  1
  B  B15  1  0.91789900  0.66422000  0.66671300  1
  B  B16  1  0.08297700  0.33405400  0.33585200  1
  B  B17  1  0.58297700  0.33404200  0.33588000  1
  O  O18  1  0.40273000  0.19472100  0.91660100  1
  O  O19  1  0.90263900  0.19473700  0.91655800  1
  O  O20  1  0.47174500  0.55659300  0.58009300  1
  O  O21  1  0.97172700  0.55659400  0.58004400  1
  O  O22  1  0.05605700  0.88792500  0.19127500  1
  O  O23  1  0.55605900  0.88790500  0.19128300  1
  O  O24  1  0.46085800  0.57828100  0.86042900  1
  O  O25  1  0.96088500  0.57825900  0.86040700  1
  O  O26  1  0.32111000  0.85777800  0.55976300  1
  O  O27  1  0.82109900  0.85776400  0.55975600  1
  O  O28  1  0.13887400  0.22232700  0.25269500  1
  O  O29  1  0.63888200  0.22233000  0.25270100  1
  O  O30  1  0.03965100  0.92070900  0.88347200  1
  O  O31  1  0.53964500  0.92070400  0.88347300  1
  O  O32  1  0.12336700  0.25325100  0.52937900  1
  O  O33  1  0.62336400  0.25319800  0.52942100  1
  O  O34  1  0.98615600  0.52758600  0.22274500  1
  O  O35  1  0.48617600  0.52756900  0.22277900  1
