# generated using pymatgen
data_Li2TiMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12817162
_cell_length_b   5.12816962
_cell_length_c   10.27062100
_cell_angle_alpha   89.99998092
_cell_angle_beta   89.99986442
_cell_angle_gamma   115.93241129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiMn2O6
_chemical_formula_sum   'Li4 Ti2 Mn4 O12'
_cell_volume   242.90212878
_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  0.10139100  0.60144200  0.75000100  1
  Li  Li1  1  0.39855900  0.89860900  0.24999700  1
  Li  Li2  1  0.60138900  0.10144200  0.74999800  1
  Li  Li3  1  0.89856000  0.39860800  0.25000300  1
  Ti  Ti4  1  0.99998600  0.00001600  0.99999800  1
  Ti  Ti5  1  0.49998900  0.50000500  0.50000000  1
  Mn  Mn6  1  0.33556700  0.66443300  0.99999700  1
  Mn  Mn7  1  0.83558200  0.16441800  0.50000700  1
  Mn  Mn8  1  0.16447100  0.83552700  0.50000100  1
  Mn  Mn9  1  0.66446900  0.33553600  0.00000200  1
  O  O10  1  0.17163900  0.17162500  0.59036600  1
  O  O11  1  0.32836700  0.32836900  0.09036600  1
  O  O12  1  0.67163300  0.67163300  0.90963400  1
  O  O13  1  0.82837400  0.82836100  0.40963300  1
  O  O14  1  0.04853300  0.70699300  0.11108300  1
  O  O15  1  0.95145300  0.29299400  0.88891300  1
  O  O16  1  0.20701200  0.54854000  0.38891200  1
  O  O17  1  0.45146000  0.79298900  0.61108500  1
  O  O18  1  0.29300600  0.95146600  0.88891700  1
  O  O19  1  0.54854200  0.20698800  0.38891600  1
  O  O20  1  0.79301200  0.45145900  0.61108300  1
  O  O21  1  0.70700600  0.04854800  0.11108700  1
