# generated using pymatgen
data_Li3Mn5FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98447784
_cell_length_b   5.98447784
_cell_length_c   13.00963325
_cell_angle_alpha   77.91332425
_cell_angle_beta   77.91332425
_cell_angle_gamma   92.24954751
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn5FeO12
_chemical_formula_sum   'Li6 Mn10 Fe2 O24'
_cell_volume   443.81270864
_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  0.95312700  0.71732000  0.08273200  1
  Li  Li1  1  0.38472400  0.61527600  0.25000000  1
  Li  Li2  1  0.28268000  0.04687300  0.41726800  1
  Li  Li3  1  0.71732000  0.95312700  0.58273200  1
  Li  Li4  1  0.61527600  0.38472400  0.75000000  1
  Li  Li5  1  0.04687300  0.28268000  0.91726800  1
  Mn  Mn6  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn7  1  0.16604000  0.16503600  0.16706600  1
  Mn  Mn8  1  0.66317700  0.16723400  0.16819200  1
  Mn  Mn9  1  0.83496400  0.83396000  0.33293400  1
  Mn  Mn10  1  0.83276600  0.33682300  0.33180800  1
  Mn  Mn11  1  0.00000000  0.50000000  0.50000000  1
  Mn  Mn12  1  0.16723400  0.66317700  0.66819200  1
  Mn  Mn13  1  0.16503600  0.16604000  0.66706600  1
  Mn  Mn14  1  0.83396000  0.83496400  0.83293400  1
  Mn  Mn15  1  0.33682300  0.83276600  0.83180800  1
  Fe  Fe16  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe17  1  0.50000000  0.50000000  0.50000000  1
  O  O18  1  0.27504900  0.22828800  0.00935600  1
  O  O19  1  0.72139100  0.24055700  0.00904500  1
  O  O20  1  0.42749800  0.38172900  0.16162000  1
  O  O21  1  0.44296500  0.93490500  0.15557100  1
  O  O22  1  0.89100300  0.39698100  0.17683500  1
  O  O23  1  0.90033400  0.94946000  0.17435700  1
  O  O24  1  0.05054000  0.09966600  0.32564300  1
  O  O25  1  0.60301900  0.10899700  0.32316500  1
  O  O26  1  0.61827100  0.57250200  0.33838000  1
  O  O27  1  0.06509500  0.55703500  0.34442900  1
  O  O28  1  0.77171200  0.72495100  0.49064400  1
  O  O29  1  0.75944300  0.27860900  0.49095500  1
  O  O30  1  0.22828800  0.27504900  0.50935600  1
  O  O31  1  0.24055700  0.72139100  0.50904500  1
  O  O32  1  0.93490500  0.44296500  0.65557100  1
  O  O33  1  0.38172900  0.42749800  0.66162000  1
  O  O34  1  0.94946000  0.90033400  0.67435700  1
  O  O35  1  0.39698100  0.89100300  0.67683500  1
  O  O36  1  0.09966600  0.05054000  0.82564300  1
  O  O37  1  0.10899700  0.60301900  0.82316500  1
  O  O38  1  0.57250200  0.61827100  0.83838000  1
  O  O39  1  0.55703500  0.06509500  0.84442900  1
  O  O40  1  0.72495100  0.77171200  0.99064400  1
  O  O41  1  0.27860900  0.75944300  0.99095500  1
