# generated using pymatgen
data_Li2TiMn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73406975
_cell_length_b   5.73406975
_cell_length_c   9.47238200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999713
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiMn3O8
_chemical_formula_sum   'Li4 Ti2 Mn6 O16'
_cell_volume   269.72163973
_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  0.33333300  0.66666700  0.89713400  1
  Li  Li1  1  0.00000000  0.00000000  0.99511800  1
  Li  Li2  1  0.00000000  0.00000000  0.49511800  1
  Li  Li3  1  0.66666700  0.33333300  0.39713400  1
  Ti  Ti4  1  0.33333300  0.66666700  0.49469900  1
  Ti  Ti5  1  0.66666700  0.33333300  0.99469900  1
  Mn  Mn6  1  0.17116500  0.34233000  0.21521200  1
  Mn  Mn7  1  0.65767000  0.82883500  0.21521200  1
  Mn  Mn8  1  0.17116500  0.82883500  0.21521200  1
  Mn  Mn9  1  0.82883500  0.17116500  0.71521200  1
  Mn  Mn10  1  0.34233000  0.17116500  0.71521200  1
  Mn  Mn11  1  0.82883500  0.65767000  0.71521200  1
  O  O12  1  0.16570000  0.33140100  0.59855300  1
  O  O13  1  0.48079900  0.51920100  0.33710600  1
  O  O14  1  0.33333300  0.66666700  0.10718900  1
  O  O15  1  0.00000000  0.00000000  0.30793200  1
  O  O16  1  0.00000000  0.00000000  0.80793200  1
  O  O17  1  0.66859900  0.83430000  0.59855300  1
  O  O18  1  0.03840200  0.51920100  0.33710600  1
  O  O19  1  0.48079900  0.96159800  0.33710600  1
  O  O20  1  0.83430000  0.16570000  0.09855300  1
  O  O21  1  0.16570000  0.83430000  0.59855300  1
  O  O22  1  0.51920100  0.03840200  0.83710600  1
  O  O23  1  0.96159800  0.48079900  0.83710600  1
  O  O24  1  0.66666700  0.33333300  0.60718900  1
  O  O25  1  0.33140100  0.16570000  0.09855300  1
  O  O26  1  0.51920100  0.48079900  0.83710600  1
  O  O27  1  0.83430000  0.66859900  0.09855300  1
