# generated using pymatgen
data_Li3MnFe2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83059002
_cell_length_b   8.83059002
_cell_length_c   8.25457409
_cell_angle_alpha   62.26045831
_cell_angle_beta   62.26045831
_cell_angle_gamma   41.81544650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MnFe2(BO3)3
_chemical_formula_sum   'Li6 Mn2 Fe4 B6 O18'
_cell_volume   372.09962129
_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  0.26015900  0.75693800  0.69855800  1
  Li  Li1  1  0.75693800  0.26015900  0.69855800  1
  Li  Li2  1  0.10057300  0.59793200  0.28415500  1
  Li  Li3  1  0.59793200  0.10057300  0.28415500  1
  Li  Li4  1  0.39318000  0.89223000  0.01597500  1
  Li  Li5  1  0.89223000  0.39318000  0.01597500  1
  Mn  Mn6  1  0.82048300  0.82048300  0.98738400  1
  Mn  Mn7  1  0.99383000  0.99383000  0.37116100  1
  Fe  Fe8  1  0.31916300  0.31916300  0.99253900  1
  Fe  Fe9  1  0.49620200  0.49620200  0.36846500  1
  Fe  Fe10  1  0.18311100  0.18311100  0.64125900  1
  Fe  Fe11  1  0.68409300  0.68409300  0.63992700  1
  B  B12  1  0.91653300  0.41673800  0.33487700  1
  B  B13  1  0.41673800  0.91653300  0.33487700  1
  B  B14  1  0.08542300  0.58013800  0.66607000  1
  B  B15  1  0.58013800  0.08542300  0.66607000  1
  B  B16  1  0.00134300  0.00134300  0.99923900  1
  B  B17  1  0.50002400  0.50002400  0.99975300  1
  O  O18  1  0.54304300  0.54304300  0.80587600  1
  O  O19  1  0.04134100  0.04134100  0.80491000  1
  O  O20  1  0.45983700  0.95978300  0.44299500  1
  O  O21  1  0.95978300  0.45983700  0.44299500  1
  O  O22  1  0.90429800  0.90429800  0.11305600  1
  O  O23  1  0.40261500  0.40261500  0.10750900  1
  O  O24  1  0.81590100  0.32319100  0.42063400  1
  O  O25  1  0.32319100  0.81590100  0.42063400  1
  O  O26  1  0.46733300  0.97378600  0.14056400  1
  O  O27  1  0.97378600  0.46733300  0.14056400  1
  O  O28  1  0.12682800  0.61993900  0.77940300  1
  O  O29  1  0.61993900  0.12682800  0.77940300  1
  O  O30  1  0.55395900  0.55395900  0.08698500  1
  O  O31  1  0.05869500  0.05869500  0.07837300  1
  O  O32  1  0.98590500  0.48601900  0.74613100  1
  O  O33  1  0.48601900  0.98590500  0.74613100  1
  O  O34  1  0.14303200  0.63638300  0.47242100  1
  O  O35  1  0.63638300  0.14303200  0.47242100  1
