# generated using pymatgen
data_Li3Mn3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73448639
_cell_length_b   5.73448639
_cell_length_c   9.52085200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn3FeO8
_chemical_formula_sum   'Li6 Mn6 Fe2 O16'
_cell_volume   271.14117797
_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  0.16785000  0.83215000  0.44604400  1
  Li  Li1  1  0.66430000  0.83215000  0.44604400  1
  Li  Li2  1  0.16785000  0.33570000  0.44604400  1
  Li  Li3  1  0.83215000  0.66430000  0.94604400  1
  Li  Li4  1  0.33570000  0.16785000  0.94604400  1
  Li  Li5  1  0.83215000  0.16785000  0.94604400  1
  Mn  Mn6  1  0.16602400  0.83397600  0.71525200  1
  Mn  Mn7  1  0.66795200  0.83397600  0.71525200  1
  Mn  Mn8  1  0.16602400  0.33204800  0.71525200  1
  Mn  Mn9  1  0.83397600  0.66795200  0.21525200  1
  Mn  Mn10  1  0.33204800  0.16602400  0.21525200  1
  Mn  Mn11  1  0.83397600  0.16602400  0.21525200  1
  Fe  Fe12  1  0.33333300  0.66666700  0.99642100  1
  Fe  Fe13  1  0.66666700  0.33333300  0.49642100  1
  O  O14  1  0.00000000  0.00000000  0.82317200  1
  O  O15  1  0.00000000  0.00000000  0.32317200  1
  O  O16  1  0.15640500  0.84359500  0.09811500  1
  O  O17  1  0.48640000  0.97279900  0.83545200  1
  O  O18  1  0.68719000  0.84359500  0.09811500  1
  O  O19  1  0.33333300  0.66666700  0.60256200  1
  O  O20  1  0.02720100  0.51360000  0.83545200  1
  O  O21  1  0.48640000  0.51360000  0.83545200  1
  O  O22  1  0.84359500  0.68719000  0.59811500  1
  O  O23  1  0.15640500  0.31281000  0.09811500  1
  O  O24  1  0.51360000  0.48640000  0.33545200  1
  O  O25  1  0.97279900  0.48640000  0.33545200  1
  O  O26  1  0.66666700  0.33333300  0.10256200  1
  O  O27  1  0.31281000  0.15640500  0.59811500  1
  O  O28  1  0.51360000  0.02720100  0.33545200  1
  O  O29  1  0.84359500  0.15640500  0.59811500  1
