# generated using pymatgen
data_Li3TiMn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87327039
_cell_length_b   5.87327039
_cell_length_c   9.67673647
_cell_angle_alpha   87.65822253
_cell_angle_beta   87.65822253
_cell_angle_gamma   118.06278672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TiMn3O8
_chemical_formula_sum   'Li6 Ti2 Mn6 O16'
_cell_volume   293.62761391
_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  0.35215300  0.16740500  0.55158200  1
  Li  Li1  1  0.82892200  0.65159700  0.56229100  1
  Li  Li2  1  0.82823900  0.17599000  0.55841500  1
  Li  Li3  1  0.17599000  0.82823900  0.05841500  1
  Li  Li4  1  0.16740500  0.35215300  0.05158200  1
  Li  Li5  1  0.65159700  0.82892200  0.06229100  1
  Ti  Ti6  1  0.64499300  0.32532500  0.00239800  1
  Ti  Ti7  1  0.32532500  0.64499300  0.50239800  1
  Mn  Mn8  1  0.33957400  0.16951700  0.28122300  1
  Mn  Mn9  1  0.83149700  0.65870700  0.28722500  1
  Mn  Mn10  1  0.83152000  0.16381000  0.28705300  1
  Mn  Mn11  1  0.16381000  0.83152000  0.78705300  1
  Mn  Mn12  1  0.16951700  0.33957400  0.78122300  1
  Mn  Mn13  1  0.65870700  0.83149700  0.78722500  1
  O  O14  1  0.97579000  0.98714200  0.17555200  1
  O  O15  1  0.98714200  0.97579000  0.67555200  1
  O  O16  1  0.33813400  0.19315400  0.90854200  1
  O  O17  1  0.49382500  0.46871500  0.14984000  1
  O  O18  1  0.50068900  0.03593500  0.14836700  1
  O  O19  1  0.69297600  0.33767500  0.40360600  1
  O  O20  1  0.83271100  0.68333400  0.91005700  1
  O  O21  1  0.95402100  0.47943300  0.15802300  1
  O  O22  1  0.19902800  0.85141900  0.41096300  1
  O  O23  1  0.85141900  0.19902800  0.91096300  1
  O  O24  1  0.03593500  0.50068900  0.64836700  1
  O  O25  1  0.33767500  0.69297600  0.90360600  1
  O  O26  1  0.47943300  0.95402100  0.65802300  1
  O  O27  1  0.19315400  0.33813400  0.40854200  1
  O  O28  1  0.46871500  0.49382500  0.64984000  1
  O  O29  1  0.68333400  0.83271100  0.41005700  1
