# generated using pymatgen data_Li2Ti3CrO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89554411 _cell_length_b 5.89554411 _cell_length_c 9.64688900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000123 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ti3CrO8 _chemical_formula_sum 'Li4 Ti6 Cr2 O16' _cell_volume 290.37932666 _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 0.89218500 1.0 Li Li1 1 0.00000000 0.00000000 0.99660000 1.0 Li Li2 1 0.00000000 0.00000000 0.49660000 1.0 Li Li3 1 0.66666700 0.33333300 0.39218500 1.0 Ti Ti4 1 0.16905600 0.83094400 0.21348100 1.0 Ti Ti5 1 0.16905600 0.33811100 0.21348100 1.0 Ti Ti6 1 0.66188900 0.83094400 0.21348100 1.0 Ti Ti7 1 0.33811100 0.16905600 0.71348100 1.0 Ti Ti8 1 0.83094400 0.66188900 0.71348100 1.0 Ti Ti9 1 0.83094400 0.16905600 0.71348100 1.0 Cr Cr10 1 0.33333300 0.66666700 0.48403900 1.0 Cr Cr11 1 0.66666700 0.33333300 0.98403900 1.0 O O12 1 0.16353800 0.83646200 0.60351200 1.0 O O13 1 0.03991000 0.51995500 0.33835800 1.0 O O14 1 0.33333300 0.66666700 0.10290100 1.0 O O15 1 0.00000000 0.00000000 0.31220700 1.0 O O16 1 0.00000000 0.00000000 0.81220700 1.0 O O17 1 0.16353800 0.32707500 0.60351200 1.0 O O18 1 0.48004500 0.96009000 0.33835800 1.0 O O19 1 0.48004500 0.51995500 0.33835800 1.0 O O20 1 0.32707500 0.16353800 0.10351200 1.0 O O21 1 0.67292500 0.83646200 0.60351200 1.0 O O22 1 0.51995500 0.48004500 0.83835800 1.0 O O23 1 0.51995500 0.03991000 0.83835800 1.0 O O24 1 0.66666700 0.33333300 0.60290100 1.0 O O25 1 0.83646200 0.67292500 0.10351200 1.0 O O26 1 0.96009000 0.48004500 0.83835800 1.0 O O27 1 0.83646200 0.16353800 0.10351200 1.0