# generated using pymatgen
data_Li2TiMn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79180700
_cell_length_b   8.86663231
_cell_length_c   10.43215100
_cell_angle_alpha   114.73605666
_cell_angle_beta   105.72725090
_cell_angle_gamma   90.26565839
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiMn3O8
_chemical_formula_sum   'Li6 Ti3 Mn9 O24'
_cell_volume   464.06882911
_cell_formula_units_Z   3
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  0.00000000  0.50000000  0.50000000  1
  Li  Li1  1  0.65581200  0.66641700  0.33316000  1
  Li  Li2  1  0.00000000  0.00000000  0.00000000  1
  Li  Li3  1  0.83090700  0.83106900  0.16268400  1
  Li  Li4  1  0.34418800  0.33358300  0.66684000  1
  Li  Li5  1  0.16909300  0.16893100  0.83731600  1
  Ti  Ti6  1  0.16229600  0.16647700  0.33342000  1
  Ti  Ti7  1  0.50000000  0.50000000  0.00000000  1
  Ti  Ti8  1  0.83770400  0.83352300  0.66658000  1
  Mn  Mn9  1  0.66809700  0.16714000  0.33337300  1
  Mn  Mn10  1  0.50000000  0.00000000  0.50000000  1
  Mn  Mn11  1  0.33725900  0.33786700  0.17078100  1
  Mn  Mn12  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn13  1  0.83237100  0.32963500  0.16135000  1
  Mn  Mn14  1  0.66274100  0.66213300  0.82921900  1
  Mn  Mn15  1  0.33190300  0.83286000  0.66662700  1
  Mn  Mn16  1  0.16762900  0.67036500  0.83865000  1
  Mn  Mn17  1  0.00000000  0.50000000  0.00000000  1
  O  O18  1  0.66128800  0.41057000  0.30828200  1
  O  O19  1  0.49256100  0.20923900  0.47977200  1
  O  O20  1  0.31878100  0.07738000  0.64238500  1
  O  O21  1  0.15037400  0.38422300  0.31094300  1
  O  O22  1  0.99553400  0.25382700  0.47694900  1
  O  O23  1  0.82461800  0.05071300  0.64562600  1
  O  O24  1  0.68121900  0.92262000  0.35761500  1
  O  O25  1  0.50743900  0.79076100  0.52022800  1
  O  O26  1  0.34834100  0.12687000  0.18821400  1
  O  O27  1  0.17538200  0.94928700  0.35437400  1
  O  O28  1  0.00446600  0.74617300  0.52305100  1
  O  O29  1  0.85309000  0.07926100  0.18914100  1
  O  O30  1  0.81769600  0.57801800  0.14178400  1
  O  O31  1  0.65165900  0.87313000  0.81178600  1
  O  O32  1  0.49268900  0.71752300  0.98023400  1
  O  O33  1  0.32550900  0.54876000  0.15057700  1
  O  O34  1  0.14691000  0.92073900  0.81085900  1
  O  O35  1  0.97591800  0.74405300  0.97636400  1
  O  O36  1  0.84962600  0.61577700  0.68905700  1
  O  O37  1  0.67449100  0.45124000  0.84942300  1
  O  O38  1  0.50731100  0.28247700  0.01976600  1
  O  O39  1  0.33871200  0.58943000  0.69171800  1
  O  O40  1  0.18230400  0.42198200  0.85821600  1
  O  O41  1  0.02408200  0.25594700  0.02363600  1
