# generated using pymatgen
data_Li3Mn2Fe(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34106400
_cell_length_b   8.25338400
_cell_length_c   8.26642585
_cell_angle_alpha   60.12689225
_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   375.14268860
_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  0.75055300  0.71617900  0.30179900  1
  Li  Li1  1  0.24944700  0.71617900  0.30179900  1
  Li  Li2  1  0.75001400  0.98325000  0.71557200  1
  Li  Li3  1  0.24998600  0.98325000  0.71557200  1
  Li  Li4  1  0.25033100  0.30168100  0.98302500  1
  Li  Li5  1  0.74966900  0.30168100  0.98302500  1
  Mn  Mn6  1  0.00000000  0.62747300  0.01217900  1
  Mn  Mn7  1  0.50000000  0.62729700  0.01227700  1
  Mn  Mn8  1  0.50000000  0.35951400  0.62806900  1
  Mn  Mn9  1  0.00000000  0.01230700  0.36012400  1
  Fe  Fe10  1  0.00000000  0.35940700  0.63297800  1
  Fe  Fe11  1  0.50000000  0.00697100  0.36015500  1
  B  B12  1  0.00000000  0.00036700  0.99695800  1
  B  B13  1  0.50000000  0.00225100  0.00060000  1
  B  B14  1  0.75012100  0.66661800  0.66577400  1
  B  B15  1  0.24987900  0.66661800  0.66577400  1
  B  B16  1  0.75000100  0.33209600  0.33478800  1
  B  B17  1  0.24999900  0.33209600  0.33478800  1
  O  O18  1  0.50000000  0.88879600  0.19511300  1
  O  O19  1  0.00000000  0.88818600  0.19033600  1
  O  O20  1  0.74613000  0.86044900  0.55795300  1
  O  O21  1  0.25387000  0.86044900  0.55795300  1
  O  O22  1  0.00000000  0.92039200  0.88325800  1
  O  O23  1  0.50000000  0.92080800  0.88818200  1
  O  O24  1  0.75435100  0.55851400  0.58007600  1
  O  O25  1  0.24564900  0.55851400  0.58007600  1
  O  O26  1  0.74972000  0.58113700  0.85906100  1
  O  O27  1  0.25028000  0.58113700  0.85906100  1
  O  O28  1  0.75037300  0.52623000  0.22233200  1
  O  O29  1  0.24962700  0.52623000  0.22233200  1
  O  O30  1  0.00000000  0.19516700  0.91584900  1
  O  O31  1  0.50000000  0.19571200  0.92104400  1
  O  O32  1  0.74753200  0.21968500  0.25310500  1
  O  O33  1  0.25246800  0.21968500  0.25310500  1
  O  O34  1  0.24791900  0.25183600  0.52795800  1
  O  O35  1  0.75208100  0.25183600  0.52795800  1
