# generated using pymatgen
data_Li2TiMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99744383
_cell_length_b   6.03957809
_cell_length_c   8.73058266
_cell_angle_alpha   90.00022835
_cell_angle_beta   89.99975295
_cell_angle_gamma   90.09988504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiMnO4
_chemical_formula_sum   'Li8 Ti4 Mn4 O16'
_cell_volume   316.23894969
_cell_formula_units_Z   4
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  0.24999000  0.24999100  0.25000800  1
  Li  Li1  1  0.74999100  0.74999200  0.75000900  1
  Li  Li2  1  0.74999100  0.24999000  0.75000900  1
  Li  Li3  1  0.24999000  0.74999100  0.25000800  1
  Li  Li4  1  0.99999100  0.49999100  0.00000900  1
  Li  Li5  1  0.49999100  0.99999100  0.50000900  1
  Li  Li6  1  0.49999000  0.49999000  0.00000900  1
  Li  Li7  1  0.99999000  0.99999100  0.50000900  1
  Ti  Ti8  1  0.49998700  0.99999400  0.00000700  1
  Ti  Ti9  1  0.99998800  0.49999400  0.50000700  1
  Ti  Ti10  1  0.99999400  0.99999400  0.00000300  1
  Ti  Ti11  1  0.49999300  0.49999300  0.50000300  1
  Mn  Mn12  1  0.25026700  0.75006500  0.74979600  1
  Mn  Mn13  1  0.74978400  0.75007900  0.24977000  1
  Mn  Mn14  1  0.75007900  0.24983600  0.25029300  1
  Mn  Mn15  1  0.25014000  0.25026900  0.74990200  1
  O  O16  1  0.49965700  0.49974400  0.27548300  1
  O  O17  1  0.99966000  0.99975600  0.77548200  1
  O  O18  1  0.00032300  0.50022600  0.27548200  1
  O  O19  1  0.50032300  0.00023800  0.77548000  1
  O  O20  1  0.99965700  0.49974600  0.72453700  1
  O  O21  1  0.49965600  0.99975600  0.22453900  1
  O  O22  1  0.50032600  0.50022800  0.72453800  1
  O  O23  1  0.00032400  0.00023700  0.22453900  1
  O  O24  1  0.25046900  0.22746500  0.00305900  1
  O  O25  1  0.75046700  0.72746200  0.50306200  1
  O  O26  1  0.24951300  0.77251900  0.00306200  1
  O  O27  1  0.74951200  0.27251400  0.50305900  1
  O  O28  1  0.75046700  0.22746400  0.99695900  1
  O  O29  1  0.25046800  0.72746400  0.49695600  1
  O  O30  1  0.74951100  0.77251600  0.99695600  1
  O  O31  1  0.24951200  0.27251500  0.49695800  1
