# generated using pymatgen
data_LiTiSe2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47868338
_cell_length_b   3.47868338
_cell_length_c   25.87274000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiSe2O
_chemical_formula_sum   'Li3 Ti3 Se6 O3'
_cell_volume   271.14581900
_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  0.00000000  0.66493500  1
  Li  Li1  1  0.66666700  0.33333300  0.33562700  1
  Li  Li2  1  0.33333300  0.66666700  0.00181200  1
  Ti  Ti3  1  0.00000000  0.00000000  0.83147700  1
  Ti  Ti4  1  0.33333300  0.66666700  0.16772000  1
  Ti  Ti5  1  0.66666700  0.33333300  0.50021700  1
  Se  Se6  1  0.33333300  0.66666700  0.77024400  1
  Se  Se7  1  0.00000000  0.00000000  0.22864100  1
  Se  Se8  1  0.33333300  0.66666700  0.56100700  1
  Se  Se9  1  0.66666700  0.33333300  0.89188300  1
  Se  Se10  1  0.00000000  0.00000000  0.43910000  1
  Se  Se11  1  0.66666700  0.33333300  0.10695100  1
  O  O12  1  0.33333300  0.66666700  0.33460700  1
  O  O13  1  0.66666700  0.33333300  0.66384700  1
  O  O14  1  0.00000000  0.00000000  0.00193200  1
